P181-0802 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-cyanobenzamide

P181-0802 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-cyanobenzamide
P181-0802 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-cyanobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0802
N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-cyanobenzamide

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

P181-0802

Molecular Formula

C20H11ClN4O2S (C20 H11 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(cc1)ccc1C(Nc1c(-c2nc(-c(cc3)ccc3Cl)no2)scc1)=O

InChI

InChI=1S/C20H11ClN4O2S/c21-15-7-5-13(6-8-15)18-24-20(27-25-18)17-16(9-10-28-17)23-19(26)14-3-1-12(11-22)2-4-14/h1-10H,(H,23,26)

InChI Key

SMBYBGSDJPSPDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.85

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

5.068

Distribution Coefficient, logD

5.068

Water Solubility, LogSw

-5.47

Polar Surface Area

72.112

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with P181-0802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0802?
Check Price and Availability of P181-0802, 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 P181-0802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0802
  • 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 P181-0802 available by request