5927-0235 Screening compound: N-cyclohexyl-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}cyclohexanamine

5927-0235 Screening compound: N-cyclohexyl-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}cyclohexanamine
5927-0235 Screening compound: N-cyclohexyl-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}cyclohexanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5927-0235
N-cyclohexyl-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}cyclohexanamine

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

5927-0235

Molecular Formula

C22H31N3O (C22 H31 N3 O)

Compound Name

N-cyclohexyl-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}cyclohexanamine

IUPAC name

N-cyclohexyl-N-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}cyclohexanamine

SMILES

Cc(cc1)ccc1-c1noc(CN(C2CCCCC2)C2CCCCC2)n1

InChI

InChI=1S/C22H31N3O/c1-17-12-14-18(15-13-17)22-23-21(26-24-22)16-25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h12-15,19-20H,2-11,16H2,1H3

InChI Key

HBNIIVNSXJKDNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04218367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.557

Distribution Coefficient, logD

6.543

Water Solubility, LogSw

-5.78

Polar Surface Area

33.403

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.64

5927-0235 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5927-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5927-0235?
Check Price and Availability of 5927-0235, 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 5927-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5927-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5927-0235
  • 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 5927-0235 available by request