BAI1

CAT: 0957-S8865-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0957-S8865-01Size:5 mg

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Description

BAI1 is a direct allosteric inhibitor of BAX with a dissociation constant (Kd) of 15.0 ± 4 μM.

CAS Number

335165-68-9

Target

Bcl-2

Activity

Apoptosis

Molecular Formula

C19H21Br2N3O

Storage Conditions

3 years -20°C powder

Chemical Information

1-(3,6-Dibromo-9H-carbazol-9-yl)-3-(piperazin-1-yl)propan-2-ol

1-(3,6-dibromo-9-carbazolyl)-3-(1-piperazinyl)-2-propanol is a member of biphenyls and a member of bromobenzenes.

CAS Number	335165-68-9
PubChem CID	2729027
IUPAC Name	1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
Molecular Formula	C19H21Br2N3O
Molecular Weight	467.2
XLogP	3.4
Topological Polar Surface Area	40.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	422

SMILES

C1CN(CCN1)CC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O

InChI

InChI=1S/C19H21Br2N3O/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)24(18)12-15(25)11-23-7-5-22-6-8-23/h1-4,9-10,15,22,25H,5-8,11-12H2

InChIKey

KUUJEXLRLIPQQJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 335165-68-9

CID: 2729027

Formula: C19H21Br2N3O

MW: 467.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	467.2
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	467.00309
Monoisotopic Mass	465.00514
Topological Polar Surface Area	40.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	422
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes