BMS-986482

CAT: 0013-GTR19277329-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19277329-02Size:5 mg

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

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Description

BMS-986482

CAS Number

3062993-48-7

Smiles

O=C1OC (=CN1C2C (=O) NC (=O) CC2) C=3C=CC (=CC3F) C=4N=C (N) C (=C (C4) C) C

Molecular Formula

C21H19FN4O4

Molecular Weight

410.41

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Example 1 [US12331045]

CAS Number	3062993-48-7
PubChem CID	172581346
IUPAC Name	3-[5-[4-(6-amino-4,5-dimethyl-2-pyridinyl)-2-fluorophenyl]-2-oxo-1,3-oxazol-3-yl]piperidine-2,6-dione
Molecular Formula	C21H19FN4O4
Molecular Weight	410.4
XLogP	1.8
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	30
Formal Charge	0
Complexity	759

SMILES

CC1=CC(=NC(=C1C)N)C2=CC(=C(C=C2)C3=CN(C(=O)O3)C4CCC(=O)NC4=O)F

InChI

InChI=1S/C21H19FN4O4/c1-10-7-15(24-19(23)11(10)2)12-3-4-13(14(22)8-12)17-9-26(21(29)30-17)16-5-6-18(27)25-20(16)28/h3-4,7-9,16H,5-6H2,1-2H3,(H2,23,24)(H,25,27,28)

InChIKey

PKEKMIKJWMHBLO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3062993-48-7

CID: 172581346

Formula: C21H19FN4O4

MW: 410.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	410.4
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	410.13903326
Monoisotopic Mass	410.13903326
Topological Polar Surface Area	115 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	759
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

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