L 368935

CAT: 0931-T24293-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T24293-02Size:50 mg

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

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CAS Number

145878-31-5

Target

Cholecystokinin Receptor, Others

Related Pathways

GPCR/G Protein, Others

Bioactivity

L 368935 is an antagonist of the cholecystokinin receptor.

Smiles

C(C(C)C)N1C=2C(C(=N[C@@H](NC(NC3=CC(=CC=C3)C=4NN=NN4)=O)C1=O)C5=CC=CC=C5)=CC=CC2

Molecular Formula

C27H26N8O2

Molecular Weight

494.55

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

L 368935

structure given in first source; cholecystokinin receptor antagonist

CAS Number	145878-31-5
PubChem CID	197533
IUPAC Name	1-[1-(2-methylpropyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-[3-(2H-tetrazol-5-yl)phenyl]urea
Molecular Formula	C27H26N8O2
Molecular Weight	494.5
XLogP	4
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	37
Formal Charge	0
Complexity	829

SMILES

CC(C)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C4=NNN=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N8O2/c1-17(2)16-35-22-14-7-6-13-21(22)23(18-9-4-3-5-10-18)29-25(26(35)36)30-27(37)28-20-12-8-11-19(15-20)24-31-33-34-32-24/h3-15,17,25H,16H2,1-2H3,(H2,28,30,37)(H,31,32,33,34)

InChIKey

WOEBZQREQISGPC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 145878-31-5

CID: 197533

Formula: C27H26N8O2

MW: 494.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	494.5
XLogP3	4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	494.21787210
Monoisotopic Mass	494.21787210
Topological Polar Surface Area	128 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	829
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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Alternative Products

Catalog	Name
HY-120862	L 368935

L 368935

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