BMS 214428

CAT: 0931-T30494-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T30494-03Size:50 mg

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

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CAS Number

216508-01-9

Target

Others

Related Pathways

Others

Bioactivity

BMS 214428 is a bio-active chemical.

Smiles

N#CNC(=NC1=CC=CC(=C1)C2C(C(=O)OC)=C(NC(=C2C(=O)OC)C)C)NCCCN3CCC(C=4C=CC=CC4)CC3

Molecular Formula

C33H40N6O4

Molecular Weight

584.71

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3,5-Pyridinedicarboxylic acid, 4-(3-(((cyanoamino)((3-(4-phenyl-1-piperidinyl)propyl)amino)methylene)amino)phenyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester

CAS Number	216508-01-9
PubChem CID	44342097
IUPAC Name	dimethyl 4-[3-[[N-cyano-N'-[3-(4-phenylpiperidin-1-yl)propyl]carbamimidoyl]amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Formula	C33H40N6O4
Molecular Weight	584.7
XLogP	4.9
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Heavy Atom Count	43
Formal Charge	0
Complexity	1090

SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=NCCCN3CCC(CC3)C4=CC=CC=C4)NC#N)C(=O)OC

InChI

InChI=1S/C33H40N6O4/c1-22-28(31(40)42-3)30(29(23(2)37-22)32(41)43-4)26-12-8-13-27(20-26)38-33(36-21-34)35-16-9-17-39-18-14-25(15-19-39)24-10-6-5-7-11-24/h5-8,10-13,20,25,30,37H,9,14-19H2,1-4H3,(H2,35,36,38)

InChIKey

GIOHMBUSIFGCJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 216508-01-9

CID: 44342097

Formula: C33H40N6O4

MW: 584.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	584.7
XLogP3	4.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Exact Mass	584.31110378
Monoisotopic Mass	584.31110378
Topological Polar Surface Area	128 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1090
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

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MBS5780127	BMS 214428

BMS 214428

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