AG01EQF4

Name: LIMK1 inhibitor BMS-4
Brand: Angene Chemical
SKU: AG01EQF4

905298-84-2 | LIMK1 inhibitor BMS-4

AG01EQF4

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CAS Number	905298-84-2
Catalog Number	AG01EQF4(AGN-PC-3H479H)
Chemical Name	LIMK1 inhibitor BMS-4
IUPAC Name	1-ethyl-3-[5-[6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]urea
InChI	InChI=1S/C23H23N7O2S/c1-5-25-22(31)30-23-27-12-19(33-23)16-10-17(20-13(2)8-15(32-4)9-14(20)3)29-21(28-16)18-11-24-6-7-26-18/h6-12H,5H2,1-4H3,(H2,25,27,30,31)
InChI Key	WUCYRTXFXRZKSV-UHFFFAOYSA-N
MDL Number	MFCD24387531
Molecular Formula	C23H23N7O2S
Molecular Weight	461.5394
SMILES	O=C(NCC)NC1SC(C2=CC(C3C(C)=CC(OC)=CC=3C)=NC(C3C=NC=CN=3)=N2)=CN=1
Synonyms	CHEMBL2070615, LIMK1 inhibitor BMS 4, BMS 4, GTPL8117, SCHEMBL5999941, BDBM50390791, ZINC84707544, compound 31 [PMID: 22902653], NCGC00372509-03, 905298-84-2, 1-ethyl-3-(5-(6-(4-methoxy-2,6-dimethylphenyl)-2-(pyrazin-2-yl)pyrimidin-4-yl)thiazol-2-yl)urea, COMPOUND 31, D0FC4Y, 1-Ethyl-3-{5-[6-(4-methoxy-2,6-dimethylphenyl)-2-(2-pyraziny,

Complexity	632
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	461.163g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	461.544g/mol
Monoisotopic Mass	461.163g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	143A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited