P181-0808 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-(dimethylamino)benzamide

P181-0808 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-(dimethylamino)benzamide
P181-0808 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-(dimethylamino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0808
N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}-4-(dimethylamino)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

P181-0808

Molecular Formula

C21H17ClN4O2S (C21 H17 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c(cc1)ccc1C(Nc1c(-c2nc(-c(cc3)ccc3Cl)no2)scc1)=O

InChI

InChI=1S/C21H17ClN4O2S/c1-26(2)16-9-5-14(6-10-16)20(27)23-17-11-12-29-18(17)21-24-19(25-28-21)13-3-7-15(22)8-4-13/h3-12H,1-2H3,(H,23,27)

InChI Key

BDCSORSYMXEBDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.503

Distribution Coefficient, logD

5.503

Water Solubility, LogSw

-6.06

Polar Surface Area

57.861

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

P181-0808 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P181-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0808?
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What is the minimum amount of P181-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0808
  • 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 P181-0808 available by request