L914-0996 Screening compound: N-benzyl-3-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

L914-0996 Screening compound: N-benzyl-3-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
L914-0996 Screening compound: N-benzyl-3-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L914-0996
N-benzyl-3-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-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

L914-0996

Molecular Formula

C18H13ClN4O4 (C18 H13 ClN4 O4)

Compound Name

N-benzyl-3-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-benzyl-3-[(5-chloro-2-oxo-23-dihydro-13-benzoxazol-3-yl)methyl]-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(CN(c(cc(cc2)Cl)c2O2)C2=O)no1)NCc1ccccc1

InChI

InChI=1S/C18H13ClN4O4/c19-12-6-7-14-13(8-12)23(18(25)26-14)10-15-21-17(27-22-15)16(24)20-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,20,24)

InChI Key

NVRXLTIUOXAVHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27486390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.739

Distribution Coefficient, logD

2.738

Water Solubility, LogSw

-3.68

Polar Surface Area

80.420

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

L914-0996 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L914-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L914-0996?
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What is the minimum amount of L914-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L914-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L914-0996
  • 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 L914-0996 available by request