L914-0346 Screening compound: N-[3-(azepan-1-yl)butyl]-3-[(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

L914-0346 Screening compound: N-[3-(azepan-1-yl)butyl]-3-[(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
L914-0346 Screening compound: N-[3-(azepan-1-yl)butyl]-3-[(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 L914-0346
N-[3-(azepan-1-yl)butyl]-3-[(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

L914-0346

Molecular Formula

C21H27N5O4 (C21 H27 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(CCNC(c1nc(CN(c(cccc2)c2O2)C2=O)no1)=O)N1CCCCCC1

InChI

InChI=1S/C21H27N5O4/c1-15(25-12-6-2-3-7-13-25)10-11-22-19(27)20-23-18(24-30-20)14-26-16-8-4-5-9-17(16)29-21(26)28/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3,(H,22,27)/t15-/m0/s1

InChI Key

IGYRUNQXABHSLF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27486294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

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

2.167

Distribution Coefficient, logD

-0.765

Water Solubility, LogSw

-2.74

Polar Surface Area

84.233

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

10.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

L914-0346 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 L914-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L914-0346?
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What is the minimum amount of L914-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L914-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L914-0346
  • 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 L914-0346 available by request