D654-0331 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}-2-fluorobenzamide

D654-0331 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}-2-fluorobenzamide
D654-0331 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D654-0331
N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}-2-fluorobenzamide

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

D654-0331

Molecular Formula

C21H13ClFN3O2 (C21 H13 ClFN3 O2)

Compound Name

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

IUPAC name

N-{2-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]phenyl}-2-fluorobenzamide

SMILES

O=C(c(cccc1)c1F)Nc(cccc1)c1-c1nc(-c(cc2)ccc2Cl)no1

InChI

InChI=1S/C21H13ClFN3O2/c22-14-11-9-13(10-12-14)19-25-21(28-26-19)16-6-2-4-8-18(16)24-20(27)15-5-1-3-7-17(15)23/h1-12H,(H,24,27)

InChI Key

VKUSSUFWZBADQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06785363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.8

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

5.540

Distribution Coefficient, logD

5.540

Water Solubility, LogSw

-6.02

Polar Surface Area

54.038

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D654-0331 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 D654-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D654-0331?
Check Price and Availability of D654-0331, 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 D654-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D654-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D654-0331
  • 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 D654-0331 available by request