Rac1-IN-4

CAT: 0607-BA5800-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5800-10Size:10 mg

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CAS Number

2924486-45-1

Molecular Formula

C23H16ClN5O2

Molecular Weight

429.86

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Rac1-IN-4

CAS Number	2924486-45-1
PubChem CID	168246389
IUPAC Name	3-chloro-N-[3-[3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]benzamide
Molecular Formula	C23H16ClN5O2
Molecular Weight	429.9
XLogP	4
Topological Polar Surface Area	85.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	31
Formal Charge	0
Complexity	639

SMILES

CC1=CC=C(O1)C2=NN=C3N2N=C(C=C3)C4=CC(=CC=C4)NC(=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H16ClN5O2/c1-14-8-10-20(31-14)22-27-26-21-11-9-19(28-29(21)22)15-4-3-7-18(13-15)25-23(30)16-5-2-6-17(24)12-16/h2-13H,1H3,(H,25,30)

InChIKey

DDIBTZNIAHHIIP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2924486-45-1

CID: 168246389

Formula: C23H16ClN5O2

MW: 429.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	429.9
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	429.0992525
Monoisotopic Mass	429.0992525
Topological Polar Surface Area	85.3 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	639
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

Catalog	Name
BA5797-5	Rac1-IN-3
BA5797-10	Rac1-IN-3
B5274-1	Rac1 Inhibitor W56
B5275-1	Rac1 Inhibitor F56, control peptide
MA4510-.05	Anti-Phospho-Rac1/CDC42 (Ser71) Rabbit Monoclonal Antibody
MA4510-.1	Anti-Phospho-Rac1/CDC42 (Ser71) Rabbit Monoclonal Antibody
BA1952-1	4-Deoxy-4α-phorbol
BA9807-50	4-Hydroxy-4-methylcyclohexanone
B6001-500	4-Methylumbelliferone (4-MU)
B6001-5.1	4-Methylumbelliferone (4-MU)