D101-0314 Screening compound: N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}furan-2-carboxamide

D101-0314 Screening compound: N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}furan-2-carboxamide
D101-0314 Screening compound: N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0314
N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}furan-2-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

D101-0314

Molecular Formula

C15H13N3O3 (C15 H13 N3 O3)

Compound Name

N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}furan-2-carboxamide

IUPAC name

N-{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}furan-2-carboxamide

SMILES

Cc1cccc(-c2noc(CNC(c3ccco3)=O)n2)c1

InChI

InChI=1S/C15H13N3O3/c1-10-4-2-5-11(8-10)14-17-13(21-18-14)9-16-15(19)12-6-3-7-20-12/h2-8H,9H2,1H3,(H,16,19)

InChI Key

AAQQXEMJEJLWOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06634832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.909

Distribution Coefficient, logD

2.909

Water Solubility, LogSw

-3.20

Polar Surface Area

64.573

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D101-0314 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D101-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0314?
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What is the minimum amount of D101-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0314
  • 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 D101-0314 available by request