D360-0314 Screening compound: 2-{[3-cyano-6-(4-ethoxyphenyl)pyridin-2-yl]sulfanyl}-N-cyclohexylacetamide

D360-0314 Screening compound: 2-{[3-cyano-6-(4-ethoxyphenyl)pyridin-2-yl]sulfanyl}-N-cyclohexylacetamide
D360-0314 Screening compound: 2-{[3-cyano-6-(4-ethoxyphenyl)pyridin-2-yl]sulfanyl}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D360-0314
2-{[3-cyano-6-(4-ethoxyphenyl)pyridin-2-yl]sulfanyl}-N-cyclohexylacetamide

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

D360-0314

Molecular Formula

C22H25N3O2S (C22 H25 N3 O2 S)

Compound Name

2-{[3-cyano-6-(4-ethoxyphenyl)pyridin-2-yl]sulfanyl}-N-cyclohexylacetamide

IUPAC name

2-{[3-cyano-6-(4-ethoxyphenyl)pyridin-2-yl]sulfanyl}-N-cyclohexylacetamide

SMILES

CCOc(cc1)ccc1-c(nc1SCC(NC2CCCCC2)=O)ccc1C#N

InChI

InChI=1S/C22H25N3O2S/c1-2-27-19-11-8-16(9-12-19)20-13-10-17(14-23)22(25-20)28-15-21(26)24-18-6-4-3-5-7-18/h8-13,18H,2-7,15H2,1H3,(H,24,26)

InChI Key

APWNUXRLFDKHDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14824448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.974

Distribution Coefficient, logD

4.974

Water Solubility, LogSw

-4.45

Polar Surface Area

56.819

Acid Dissociation Constant (pKa)

15.71

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D360-0314 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D360-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D360-0314?
Check Price and Availability of D360-0314, 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 D360-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D360-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D360-0314
  • 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 D360-0314 available by request