AG01EO5H

Name: (S)-2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)acetic acid
Brand: Angene Chemical
SKU: AG01EO5H

1300019-38-8 | (S)-2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)acetic acid

Chemical structure of (S)-2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)acetic acid, CAS 1300019-38-8

AG01EO5H

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CAS Number	1300019-38-8
Catalog Number	AG01EO5H(AGN-PC-3H467C)
Chemical Name	(S)-2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)acetic acid
IUPAC Name	2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetic acid
InChI	InChI=1S/C20H17ClN4O3/c1-11-23-24-20-16(10-18(26)27)22-19(12-3-5-13(21)6-4-12)15-9-14(28-2)7-8-17(15)25(11)20/h3-9,16H,10H2,1-2H3,(H,26,27)/t16-/m0/s1
InChI Key	VEIZLTSJCDOIBH-INIZCTEOSA-N
MDL Number	MFCD31619257
Molecular Formula	C20H17ClN4O3
Molecular Weight	396.8270
SMILES	ClC1=CC=C(C=C1)C1=N[C@H](C=2N(C3=C1C=C(C=C3)OC)C(=NN2)C)CC(=O)O
Synonyms	CHEMBL2430881, PROTAC BRD4-binding moiety 2, SCHEMBL1820357, Target Protein-binding moiety 4, VEIZLTSJCDOIBH-INIZCTEOSA-N, BDBM50441160, HY-107443, CS-0028499, (S)-2-(6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)acetic acid, [(4S)-6-(4-Chlorophenyl)-1-methyl-8-(methyloxy)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetic acid, 1300019-38-8, 2-((4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)acetic acid,

Complexity	610
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	396.099g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	396.831g/mol
Monoisotopic Mass	396.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	89.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited