HM90822

CAT: 0013-GTR19208976-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19208976-05Size:50 mg

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Description

HM90822

CAS Number

1363145-46-3

Product Name Alternative

HM 90822, HM90822, HM-90822, IAP, AC-430, AC 430., Apoptosis

Field of Research

Cell Biology

Purity

99.66% (May vary between batches)

Smiles

N (C=1C2=C (C=C (OC) C (NC (=O) [C@H]3N (C ([C@@H] (NC ([C@@H] (NC) C) =O) [C@] (C) (C) C) =O) CCC3) =C2) N=CN1) C4=C (F) C (Cl) =C (F) C=C4

Molecular Formula

C30H36ClF2N7O4

Molecular Weight

632.1

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(2S)-N-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide

CAS Number	1363145-46-3
PubChem CID	56924622
IUPAC Name	(2S)-N-[4-(3-chloro-2,4-difluoroanilino)-7-methoxyquinazolin-6-yl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
Molecular Formula	C30H36ClF2N7O4
Molecular Weight	632.1
XLogP	4.6
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Heavy Atom Count	44
Formal Charge	0
Complexity	1020

SMILES

C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=C(C=C4)F)Cl)F)OC)C(C)(C)C)NC

InChI

InChI=1S/C30H36ClF2N7O4/c1-15(34-5)27(41)39-25(30(2,3)4)29(43)40-11-7-8-21(40)28(42)38-20-12-16-19(13-22(20)44-6)35-14-36-26(16)37-18-10-9-17(32)23(31)24(18)33/h9-10,12-15,21,25,34H,7-8,11H2,1-6H3,(H,38,42)(H,39,41)(H,35,36,37)/t15-,21-,25+/m0/s1

InChIKey

KJLMHHDQQFRBTF-HHCYOLOASA-N

Chemical Structure

2D Structure

CAS: 1363145-46-3

CID: 56924622

Formula: C30H36ClF2N7O4

MW: 632.1

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	632.1
XLogP3	4.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Exact Mass	631.2485367
Monoisotopic Mass	631.2485367
Topological Polar Surface Area	138 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1020
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
BUP14146-01	HM90822

HM90822

Chemical Information

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