P890-2211 Screening compound: N-{1-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl}-2H-1,3-benzodioxole-5-carboxamide

P890-2211 Screening compound: N-{1-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl}-2H-1,3-benzodioxole-5-carboxamide
P890-2211 Screening compound: N-{1-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P890-2211
N-{1-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl}-2H-1,3-benzodioxole-5-carboxamide

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

P890-2211

Molecular Formula

C21H20N4O4 (C21 H20 N4 O4)

Compound Name

N-{1-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{1-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]cyclohexyl}-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)NC1(CCCCC1)c1nc(-c2ccncc2)no1

InChI

InChI=1S/C21H20N4O4/c26-19(15-4-5-16-17(12-15)28-13-27-16)24-21(8-2-1-3-9-21)20-23-18(25-29-20)14-6-10-22-11-7-14/h4-7,10-12H,1-3,8-9,13H2,(H,24,26)

InChI Key

VGHRVQFBGVFIJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20754555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-3.67

Polar Surface Area

82.365

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P890-2211 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P890-2211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P890-2211?
Check Price and Availability of P890-2211, 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 P890-2211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P890-2211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P890-2211
  • 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 P890-2211 available by request