L914-1072 Screening compound: 3-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-{[4-(dimethylamino)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide

L914-1072 Screening compound: 3-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-{[4-(dimethylamino)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide
L914-1072 Screening compound: 3-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-{[4-(dimethylamino)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L914-1072
3-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-{[4-(dimethylamino)phenyl]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

L914-1072

Molecular Formula

C20H18ClN5O4 (C20 H18 ClN5 O4)

Compound Name

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

IUPAC name

3-[(5-chloro-2-oxo-23-dihydro-13-benzoxazol-3-yl)methyl]-N-{[4-(dimethylamino)phenyl]methyl}-124-oxadiazole-5-carboxamide

SMILES

CN(C)c1ccc(CNC(c2nc(CN(c(cc(cc3)Cl)c3O3)C3=O)no2)=O)cc1

InChI

InChI=1S/C20H18ClN5O4/c1-25(2)14-6-3-12(4-7-14)10-22-18(27)19-23-17(24-30-19)11-26-15-9-13(21)5-8-16(15)29-20(26)28/h3-9H,10-11H2,1-2H3,(H,22,27)

InChI Key

DZLHDIJDQLGCGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27486402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.829

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-3.76

Polar Surface Area

83.224

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L914-1072 in Drug Discovery

Included in Screening Libraries

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

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 L914-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L914-1072?
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What is the minimum amount of L914-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L914-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L914-1072
  • 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 L914-1072 available by request