L914-1053 Screening compound: 3-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide

L914-1053 Screening compound: 3-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
L914-1053 Screening compound: 3-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L914-1053
3-[(5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-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

L914-1053

Molecular Formula

C20H24ClN5O4 (C20 H24 ClN5 O4)

Compound Name

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

IUPAC name

3-[(5-chloro-2-oxo-23-dihydro-13-benzoxazol-3-yl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-124-oxadiazole-5-carboxamide

SMILES

CC1CN(CCCNC(c2nc(CN(c(cc(cc3)Cl)c3O3)C3=O)no2)=O)CCC1

InChI

InChI=1S/C20H24ClN5O4/c1-13-4-2-8-25(11-13)9-3-7-22-18(27)19-23-17(24-30-19)12-26-15-10-14(21)5-6-16(15)29-20(26)28/h5-6,10,13H,2-4,7-9,11-12H2,1H3,(H,22,27)/t13-/m0/s1

InChI Key

OGCMEQSUKYUWJE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27486399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.328

Distribution Coefficient, logD

-0.243

Water Solubility, LogSw

-3.53

Polar Surface Area

84.177

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

L914-1053 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L914-1053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L914-1053?
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What is the minimum amount of L914-1053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L914-1053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L914-1053
  • 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 L914-1053 available by request