L080-0323 Screening compound: N-benzyl-3-(2-{[(2,5-dimethylphenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazole-5-carboxamide

L080-0323 Screening compound: N-benzyl-3-(2-{[(2,5-dimethylphenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazole-5-carboxamide
L080-0323 Screening compound: N-benzyl-3-(2-{[(2,5-dimethylphenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L080-0323
N-benzyl-3-(2-{[(2,5-dimethylphenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazole-5-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L080-0323

Molecular Formula

C22H25N5O3 (C22 H25 N5 O3)

Compound Name

N-benzyl-3-(2-{[(2,5-dimethylphenyl)carbamoyl](methyl)amino}ethyl)-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-benzyl-3-(2-{[(25-dimethylphenyl)carbamoyl](methyl)amino}ethyl)-124-oxadiazole-5-carboxamide

SMILES

Cc1cc(NC(N(C)CCc2noc(C(NCc3ccccc3)=O)n2)=O)c(C)cc1

InChI

InChI=1S/C22H25N5O3/c1-15-9-10-16(2)18(13-15)24-22(29)27(3)12-11-19-25-21(30-26-19)20(28)23-14-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,23,28)(H,24,29)

InChI Key

KEADKROOYCOEHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27229590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.909

Distribution Coefficient, logD

2.909

Water Solubility, LogSw

-3.26

Polar Surface Area

81.843

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L080-0323 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L080-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L080-0323?
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What is the minimum amount of L080-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L080-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L080-0323
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L080-0323 available by request