P200-0087 Screening compound: 3-cyclohexyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole

P200-0087 Screening compound: 3-cyclohexyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole
P200-0087 Screening compound: 3-cyclohexyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P200-0087
3-cyclohexyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole

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

P200-0087

Molecular Formula

C13H18N4O (C13 H18 N4 O)

Compound Name

3-cyclohexyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole

IUPAC name

3-cyclohexyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-124-oxadiazole

SMILES

Cc1nccn1Cc1nc(C2CCCCC2)no1

InChI

InChI=1S/C13H18N4O/c1-10-14-7-8-17(10)9-12-15-13(16-18-12)11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3

InChI Key

OWWFCSIHWLLEAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.274

Distribution Coefficient, logD

0.444

Water Solubility, LogSw

-2.02

Polar Surface Area

44.060

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

9.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.54

P200-0087 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P200-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P200-0087?
Check Price and Availability of P200-0087, 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 P200-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P200-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P200-0087
  • 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 P200-0087 available by request