D679-0095 Screening compound: 2-chloro-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

D679-0095 Screening compound: 2-chloro-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide
D679-0095 Screening compound: 2-chloro-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D679-0095
2-chloro-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

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

D679-0095

Molecular Formula

C14H16ClN3O2 (C14 H16 ClN3 O2)

Compound Name

2-chloro-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

IUPAC name

2-chloro-N-{[5-(2-methylpropyl)-124-oxadiazol-3-yl]methyl}benzamide

SMILES

CC(C)Cc1nc(CNC(c(cccc2)c2Cl)=O)no1

InChI

InChI=1S/C14H16ClN3O2/c1-9(2)7-13-17-12(18-20-13)8-16-14(19)10-5-3-4-6-11(10)15/h3-6,9H,7-8H2,1-2H3,(H,16,19)

InChI Key

BUVNLFSTABOBSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.522

Distribution Coefficient, logD

3.522

Water Solubility, LogSw

-3.83

Polar Surface Area

57.257

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

D679-0095 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D679-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D679-0095?
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What is the minimum amount of D679-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D679-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D679-0095
  • 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 D679-0095 available by request