D549-0210 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide

D549-0210 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
D549-0210 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-0210
2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide

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

D549-0210

Molecular Formula

C22H28N6OS2 (C22 H28 N6 OS2)

Compound Name

2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide

IUPAC name

2-[(5-{3-aminothieno[23-b]pyridin-2-yl}-4-cyclohexyl-4H-124-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide

SMILES

Nc1c(-c(n2C3CCCCC3)nnc2SCC(NC2CCCC2)=O)sc2ncccc12

InChI

InChI=1S/C22H28N6OS2/c23-18-16-11-6-12-24-21(16)31-19(18)20-26-27-22(28(20)15-9-2-1-3-10-15)30-13-17(29)25-14-7-4-5-8-14/h6,11-12,14-15H,1-5,7-10,13,23H2,(H,25,29)

InChI Key

GLCOGYAFGVJEFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.967

Distribution Coefficient, logD

3.965

Water Solubility, LogSw

-4.20

Polar Surface Area

78.647

Acid Dissociation Constant (pKa)

16.42

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

D549-0210 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D549-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-0210?
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What is the minimum amount of D549-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-0210
  • 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 D549-0210 available by request