P181-0693 Screening compound: 4-ethoxy-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide

P181-0693 Screening compound: 4-ethoxy-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide
P181-0693 Screening compound: 4-ethoxy-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0693
4-ethoxy-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

P181-0693

Molecular Formula

C21H16FN3O3S (C21 H16 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(Nc1c(-c2nc(-c(cc3)ccc3F)no2)scc1)=O

InChI

InChI=1S/C21H16FN3O3S/c1-2-27-16-9-5-14(6-10-16)20(26)23-17-11-12-29-18(17)21-24-19(25-28-21)13-3-7-15(22)8-4-13/h3-12H,2H2,1H3,(H,23,26)

InChI Key

WYCXWNSNQXCMER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.217

Distribution Coefficient, logD

5.217

Water Solubility, LogSw

-4.98

Polar Surface Area

62.180

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

-5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

P181-0693 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P181-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0693?
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What is the minimum amount of P181-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0693
  • 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 P181-0693 available by request