BRD4 Inhibitor-27

CAT: 0607-C8458-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-C8458-5Size:5 mg

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CAS Number

930039-92-2

Molecular Formula

C16H13F3N6

Molecular Weight

346.31

Storage Conditions

Store at -20°C

Chemical Information

N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine

CAS Number	930039-92-2
PubChem CID	17395684
IUPAC Name	N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Molecular Formula	C16H13F3N6
Molecular Weight	346.31
XLogP	3.1
Topological Polar Surface Area	70.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	462

SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC3=NN4C(=NN=C4C(F)(F)F)C=C3

InChI

InChI=1S/C16H13F3N6/c17-16(18,19)15-23-22-14-6-5-13(24-25(14)15)20-8-7-10-9-21-12-4-2-1-3-11(10)12/h1-6,9,21H,7-8H2,(H,20,24)

InChIKey

FZKFDCYCUKXFBX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 930039-92-2

CID: 17395684

Formula: C16H13F3N6

MW: 346.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	346.31
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	346.11537893
Monoisotopic Mass	346.11537893
Topological Polar Surface Area	70.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	462
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
BA4761-5	BRD4-IN-4
BA4761-10	BRD4-IN-4
C8457-250	BRD4-BD1-IN-2
C8457-100	BRD4-BD1-IN-2
C8457-50	BRD4-BD1-IN-2
PA1056-.1	Anti-BRD4 Rabbit Polyclonal Antibody
PA1056-.05	Anti-BRD4 Rabbit Polyclonal Antibody
MA1513-.1	Anti-BRD4 Rabbit Monoclonal Antibody
MA1513-.05	Anti-BRD4 Rabbit Monoclonal Antibody
BA4960-25	VTX-27