D679-0226 Screening compound: 4-chloro-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methoxybenzamide

D679-0226 Screening compound: 4-chloro-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methoxybenzamide
D679-0226 Screening compound: 4-chloro-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D679-0226
4-chloro-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methoxybenzamide

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

D679-0226

Molecular Formula

C16H18ClN3O3 (C16 H18 ClN3 O3)

Compound Name

4-chloro-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methoxybenzamide

IUPAC name

4-chloro-N-[(5-cyclopentyl-124-oxadiazol-3-yl)methyl]-2-methoxybenzamide

SMILES

COc(cc(cc1)Cl)c1C(NCc1noc(C2CCCC2)n1)=O

InChI

InChI=1S/C16H18ClN3O3/c1-22-13-8-11(17)6-7-12(13)15(21)18-9-14-19-16(23-20-14)10-4-2-3-5-10/h6-8,10H,2-5,9H2,1H3,(H,18,21)

InChI Key

QXFGMPYALSGEBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.354

Distribution Coefficient, logD

4.354

Water Solubility, LogSw

-4.58

Polar Surface Area

65.508

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D679-0226 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D679-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D679-0226?
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What is the minimum amount of D679-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D679-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D679-0226
  • 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 D679-0226 available by request