Products for Research Use Only
RegisterLogin

HM90822

CAT: 0013-GTR19208976-06Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19208976-06Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
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 Number1363145-46-3
PubChem CID56924622
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 FormulaC30H36ClF2N7O4
Molecular Weight632.1
XLogP4.6
Topological Polar Surface Area138
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count44
Formal Charge0
Complexity1020
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
2D structure of (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: 1363145-46-3
CID: 56924622
Formula: C30H36ClF2N7O4
MW: 632.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight632.1
XLogP34.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass631.2485367
Monoisotopic Mass631.2485367
Topological Polar Surface Area138 Ų
Heavy Atom Count44
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP14146-01HM90822

Popular Products