D101-0339 Screening compound: 2-chloro-4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide

D101-0339 Screening compound: 2-chloro-4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
D101-0339 Screening compound: 2-chloro-4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0339
2-chloro-4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-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

D101-0339

Molecular Formula

C18H16ClN3O2 (C18 H16 ClN3 O2)

Compound Name

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

IUPAC name

2-chloro-4-methyl-N-{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}benzamide

SMILES

Cc1cccc(-c2noc(CNC(c(ccc(C)c3)c3Cl)=O)n2)c1

InChI

InChI=1S/C18H16ClN3O2/c1-11-4-3-5-13(8-11)17-21-16(24-22-17)10-20-18(23)14-7-6-12(2)9-15(14)19/h3-9H,10H2,1-2H3,(H,20,23)

InChI Key

ZPOKKMOLFPEKNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06633297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.008

Distribution Coefficient, logD

5.007

Water Solubility, LogSw

-5.16

Polar Surface Area

55.995

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D101-0339 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D101-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0339?
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What is the minimum amount of D101-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0339
  • 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 D101-0339 available by request