D549-2163 Screening compound: 2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine

D549-2163 Screening compound: 2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine
D549-2163 Screening compound: 2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-2163
2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine

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

D549-2163

Molecular Formula

C21H16ClN5OS2 (C21 H16 ClN5 OS2)

Compound Name

2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine

IUPAC name

2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-4-[(furan-2-yl)methyl]-4H-124-triazol-3-yl)thieno[23-b]pyridin-3-amine

SMILES

Nc1c(-c(n2Cc3ccco3)nnc2SCc(cc2)ccc2Cl)sc2c1cccn2

InChI

InChI=1S/C21H16ClN5OS2/c22-14-7-5-13(6-8-14)12-29-21-26-25-19(27(21)11-15-3-2-10-28-15)18-17(23)16-4-1-9-24-20(16)30-18/h1-10H,11-12,23H2

InChI Key

YWRVIHJHFBGJSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18912812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.744

Distribution Coefficient, logD

4.743

Water Solubility, LogSw

-5.01

Polar Surface Area

61.257

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D549-2163 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with D549-2163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-2163?
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What is the minimum amount of D549-2163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-2163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-2163
  • 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 D549-2163 available by request