P181-1177 Screening compound: 4-cyano-N-{2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide

P181-1177 Screening compound: 4-cyano-N-{2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide
P181-1177 Screening compound: 4-cyano-N-{2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-1177
4-cyano-N-{2-[3-(3-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

P181-1177

Molecular Formula

C20H11FN4O2S (C20 H11 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(cc1)ccc1C(Nc1c(-c2nc(-c3cc(F)ccc3)no2)scc1)=O

InChI

InChI=1S/C20H11FN4O2S/c21-15-3-1-2-14(10-15)18-24-20(27-25-18)17-16(8-9-28-17)23-19(26)13-6-4-12(11-22)5-7-13/h1-10H,(H,23,26)

InChI Key

BMDMEZKLYOQVPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

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

4.594

Distribution Coefficient, logD

4.594

Water Solubility, LogSw

-4.63

Polar Surface Area

72.112

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

P181-1177 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 P181-1177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-1177?
Check Price and Availability of P181-1177, 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 P181-1177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-1177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-1177
  • 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 P181-1177 available by request