P890-0001 Screening compound: N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide

P890-0001 Screening compound: N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide
P890-0001 Screening compound: N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P890-0001
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide

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

P890-0001

Molecular Formula

C16H25N3O2 (C16 H25 N3 O2)

Compound Name

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide

IUPAC name

N-[1-(3-methyl-124-oxadiazol-5-yl)cyclohexyl]cyclohexanecarboxamide

SMILES

Cc1noc(C2(CCCCC2)NC(C2CCCCC2)=O)n1

InChI

InChI=1S/C16H25N3O2/c1-12-17-15(21-19-12)16(10-6-3-7-11-16)18-14(20)13-8-4-2-5-9-13/h13H,2-11H2,1H3,(H,18,20)

InChI Key

FBWICRRFZWIKFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.984

Distribution Coefficient, logD

2.984

Water Solubility, LogSw

-2.98

Polar Surface Area

55.898

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

81.30

P890-0001 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P890-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P890-0001?
Check Price and Availability of P890-0001, 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 P890-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P890-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P890-0001
  • 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 P890-0001 available by request