JNJ-DGAT2-A

CAT: 0607-BA7115-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7115-25Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1962931-71-0

Form

A solid

Molecular Formula

C24H16BrFN4O2S

Molecular Weight

523.38

Shipping Conditions

Blue ice

Storage Conditions

4°C, desiccated and protect from light.

Chemical Information

Jnj-dgat2-A

CAS Number	1962931-71-0
PubChem CID	137025390
IUPAC Name	3-bromo-4-[2-fluoro-4-[(Z)-[4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]benzonitrile
Molecular Formula	C24H16BrFN4O2S
Molecular Weight	523.4
XLogP	5.3
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	816

SMILES

C1=CC=NC(=C1)CCN=C2NC(=O)/C(=C/C3=CC(=C(C=C3)OC4=C(C=C(C=C4)C#N)Br)F)/S2

InChI

InChI=1S/C24H16BrFN4O2S/c25-18-11-16(14-27)5-6-20(18)32-21-7-4-15(12-19(21)26)13-22-23(31)30-24(33-22)29-10-8-17-3-1-2-9-28-17/h1-7,9,11-13H,8,10H2,(H,29,30,31)/b22-13-

InChIKey

ZFRHAMOJHTZHLT-XKZIYDEJSA-N

Chemical Structure

2D Structure

CAS: 1962931-71-0

CID: 137025390

Formula: C24H16BrFN4O2S

MW: 523.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	523.4
XLogP3	5.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	522.01614
Monoisotopic Mass	522.01614
Topological Polar Surface Area	113 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	816
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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JNJ-DGAT2-A

Chemical Information

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