D247-0444 Screening compound: 2-chloro-N-{[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide

D247-0444 Screening compound: 2-chloro-N-{[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
D247-0444 Screening compound: 2-chloro-N-{[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D247-0444
2-chloro-N-{[3-(2-methoxyphenyl)-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

D247-0444

Molecular Formula

C17H14ClN3O3 (C17 H14 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1-c1noc(CNC(c(cccc2)c2Cl)=O)n1

InChI

InChI=1S/C17H14ClN3O3/c1-23-14-9-5-3-7-12(14)16-20-15(24-21-16)10-19-17(22)11-6-2-4-8-13(11)18/h2-9H,10H2,1H3,(H,19,22)

InChI Key

KJVUNAWZRYNNAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06791646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.77

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

3.670

Distribution Coefficient, logD

3.669

Water Solubility, LogSw

-4.00

Polar Surface Area

63.625

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

-6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D247-0444 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 D247-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D247-0444?
Check Price and Availability of D247-0444, 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 D247-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D247-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D247-0444
  • 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 D247-0444 available by request