AZ 628

CAT: 0013-GTR19171962-06Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19171962-06Size:50 mg

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Description

AZ 628

CAS Number

878739-06-1

Product Name Alternative

Raf kinases, Raf, Apoptosis, AZ628, AZ-628, AZ 628, B-Raf, B-Raf (V600E), C-Raf-1, Inhibitor, inhibit

Field of Research

Cell Biology, Signal Transduction

Purity

97.91% (May vary between batches)

Solubility

DMSO:250 mg/mL (553.69 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.43 mM)

Smiles

Cc1ccc (NC (=O) c2cccc (c2) C (C) (C) C#N) cc1Nc1ccc2ncn (C) c (=O) c2c1

Molecular Formula

C27H25N5O2

Molecular Weight

451.52

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

AZ-628

3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxo-6-quinazolinyl)amino]phenyl]benzamide is a member of benzamides.

CAS Number	878739-06-1
PubChem CID	11676786
IUPAC Name	3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide
Molecular Formula	C27H25N5O2
Molecular Weight	451.5
XLogP	4.2
Topological Polar Surface Area	97.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	34
Formal Charge	0
Complexity	845

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C

InChI

InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)

InChIKey

ZGBGPEDJXCYQPH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 878739-06-1

CID: 11676786

Formula: C27H25N5O2

MW: 451.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	451.5
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	451.20082506
Monoisotopic Mass	451.20082506
Topological Polar Surface Area	97.6 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	845
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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