L914-0412 Screening compound: 3-[(5-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-[(pyridin-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

L914-0412 Screening compound: 3-[(5-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-[(pyridin-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
L914-0412 Screening compound: 3-[(5-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-[(pyridin-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L914-0412
3-[(5-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-[(pyridin-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

L914-0412

Molecular Formula

C18H15N5O4 (C18 H15 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(N2Cc3noc(C(NCc4cnccc4)=O)n3)c1OC2=O

InChI

InChI=1S/C18H15N5O4/c1-11-4-5-14-13(7-11)23(18(25)26-14)10-15-21-17(27-22-15)16(24)20-9-12-3-2-6-19-8-12/h2-8H,9-10H2,1H3,(H,20,24)

InChI Key

TWLFNLXXQWCNHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27486297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.386

Distribution Coefficient, logD

1.386

Water Solubility, LogSw

-1.57

Polar Surface Area

89.938

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

L914-0412 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L914-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L914-0412?
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What is the minimum amount of L914-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L914-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L914-0412
  • 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 L914-0412 available by request