P181-0654 Screening compound: 3,4-difluoro-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide

P181-0654 Screening compound: 3,4-difluoro-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide
P181-0654 Screening compound: 3,4-difluoro-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0654
3,4-difluoro-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}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

P181-0654

Molecular Formula

C19H10F3N3O2S (C19 H10 F3 N3 O2 S)

Compound Name

3,4-difluoro-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide

IUPAC name

34-difluoro-N-{2-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]thiophen-3-yl}benzamide

SMILES

O=C(c(cc1)cc(F)c1F)Nc1c(-c2nc(-c(cc3)ccc3F)no2)scc1

InChI

InChI=1S/C19H10F3N3O2S/c20-12-4-1-10(2-5-12)17-24-19(27-25-17)16-15(7-8-28-16)23-18(26)11-3-6-13(21)14(22)9-11/h1-9H,(H,23,26)

InChI Key

LCRGBDPPLVWFHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.37

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

5.224

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.52

Polar Surface Area

55.056

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

P181-0654 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with P181-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0654?
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What is the minimum amount of P181-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0654
  • 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 P181-0654 available by request