D678-0670 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-cyanobenzamide

D678-0670 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-cyanobenzamide
D678-0670 Screening compound: N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-cyanobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D678-0670
N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-cyanobenzamide

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

D678-0670

Molecular Formula

C17H11ClN4O2 (C17 H11 ClN4 O2)

Compound Name

N-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-3-cyanobenzamide

IUPAC name

N-{[5-(3-chlorophenyl)-124-oxadiazol-3-yl]methyl}-3-cyanobenzamide

SMILES

N#Cc1cccc(C(NCc2noc(-c3cccc(Cl)c3)n2)=O)c1

InChI

InChI=1S/C17H11ClN4O2/c18-14-6-2-5-13(8-14)17-21-15(22-24-17)10-20-16(23)12-4-1-3-11(7-12)9-19/h1-8H,10H2,(H,20,23)

InChI Key

WKNDFHHUDUYFRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.75

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

3.175

Distribution Coefficient, logD

3.175

Water Solubility, LogSw

-3.68

Polar Surface Area

74.376

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

D678-0670 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D678-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D678-0670?
Check Price and Availability of D678-0670, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D678-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D678-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D678-0670
  • 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 D678-0670 available by request