D386-0082 Screening compound: N-cyclohexyl-2-{[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

D386-0082 Screening compound: N-cyclohexyl-2-{[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
D386-0082 Screening compound: N-cyclohexyl-2-{[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D386-0082
N-cyclohexyl-2-{[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

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

D386-0082

Molecular Formula

C15H19N3O3S (C15 H19 N3 O3 S)

Compound Name

N-cyclohexyl-2-{[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

IUPAC name

N-cyclohexyl-2-{[5-(2-methylfuran-3-yl)-134-oxadiazol-2-yl]sulfanyl}acetamide

SMILES

Cc(occ1)c1-c(o1)nnc1SCC(NC1CCCCC1)=O

InChI

InChI=1S/C15H19N3O3S/c1-10-12(7-8-20-10)14-17-18-15(21-14)22-9-13(19)16-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,16,19)

InChI Key

JOXJJWGULQWCQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07041177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.209

Distribution Coefficient, logD

2.209

Water Solubility, LogSw

-2.81

Polar Surface Area

62.494

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

D386-0082 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • 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 D386-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D386-0082?
Check Price and Availability of D386-0082, 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 D386-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D386-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D386-0082
  • 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 D386-0082 available by request