AG00ABJG

Name: CDK7-IN-1
Brand: Angene Chemical
SKU: AG00ABJG

1604810-84-5 | CDK7-IN-1

AG00ABJG

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CAS Number	1604810-84-5
Catalog Number	AG00ABJG(AGN-PC-0WNHFD)
Chemical Name	CDK7-IN-1
IUPAC Name	N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
InChI	InChI=1S/C31H28ClN7O2/c1-39(2)15-7-14-28(40)35-21-9-5-8-20(16-21)30(41)36-22-10-6-11-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-13-4-3-12-24(25)27/h3-14,16-19,33H,15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b14-7+
InChI Key	FONRCZUZCHXWBD-VGOFMYFVSA-N
MDL Number	MFCD28716099
Molecular Formula	C31H28ClN7O2
Molecular Weight	566.0527
SMILES	ClC=1C(=NC(=NC1)NC=1C=C(C=CC1)NC(C1=CC(=CC=C1)NC(\C=C\CN(C)C)=O)=O)C1=CNC2=CC=CC=C12
Synonyms	THZ2, 1604810-84-5, CDK7-IN-1, THZ 2, THZ-2,THZ2,THZ 2, SCHEMBL18313553, BCP24675, EX-A1531, AKOS030526602, ZINC214463223, CS-3245, NCGC00485484-01, HY-12280, (E)-N-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)-3-(4-(dimethylamino)but-2-enamido)benzamide, A8717,

Complexity	904
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	565.199g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	566.062g/mol
Monoisotopic Mass	565.199g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

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