P890-1102 Screening compound: 3-cyano-N-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl}benzamide

P890-1102 Screening compound: 3-cyano-N-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl}benzamide
P890-1102 Screening compound: 3-cyano-N-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P890-1102
3-cyano-N-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl}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

P890-1102

Molecular Formula

C23H22N4O3 (C23 H22 N4 O3)

Compound Name

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

IUPAC name

n/a

SMILES

COc(cc1)ccc1-c1noc(C2(CCCCC2)NC(c2cc(C#N)ccc2)=O)n1

InChI

InChI=1S/C23H22N4O3/c1-29-19-10-8-17(9-11-19)20-25-22(30-27-20)23(12-3-2-4-13-23)26-21(28)18-7-5-6-16(14-18)15-24/h5-11,14H,2-4,12-13H2,1H3,(H,26,28)

InChI Key

NRANSDRWZYFOLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.498

Distribution Coefficient, logD

4.498

Water Solubility, LogSw

-4.40

Polar Surface Area

80.421

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

P890-1102 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P890-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P890-1102?
Check Price and Availability of P890-1102, 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 P890-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P890-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P890-1102
  • 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 P890-1102 available by request