D549-1798 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopentyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-benzylacetamide

D549-1798 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopentyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-benzylacetamide
D549-1798 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopentyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-benzylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-1798
2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopentyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-benzylacetamide

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

D549-1798

Molecular Formula

C23H24N6OS2 (C23 H24 N6 OS2)

Compound Name

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

IUPAC name

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

SMILES

Nc1c(-c(n2C3CCCC3)nnc2SCC(NCc2ccccc2)=O)sc2ncccc12

InChI

InChI=1S/C23H24N6OS2/c24-19-17-11-6-12-25-22(17)32-20(19)21-27-28-23(29(21)16-9-4-5-10-16)31-14-18(30)26-13-15-7-2-1-3-8-15/h1-3,6-8,11-12,16H,4-5,9-10,13-14,24H2,(H,26,30)

InChI Key

NWZDGPAVWCECBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.661

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-4.19

Polar Surface Area

78.922

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

D549-1798 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D549-1798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-1798?
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What is the minimum amount of D549-1798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-1798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-1798
  • 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 D549-1798 available by request