D549-0279 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide

D549-0279 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
D549-0279 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-0279
2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)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

D549-0279

Molecular Formula

C23H17FN6OS2 (C23 H17 FN6 OS2)

Compound Name

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

IUPAC name

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

SMILES

Nc1c(-c(n2-c3ccccc3)nnc2SCC(Nc(cccc2)c2F)=O)sc2ncccc12

InChI

InChI=1S/C23H17FN6OS2/c24-16-10-4-5-11-17(16)27-18(31)13-32-23-29-28-21(30(23)14-7-2-1-3-8-14)20-19(25)15-9-6-12-26-22(15)33-20/h1-12H,13,25H2,(H,27,31)

InChI Key

LJPMUKJZRHOOGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.56

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

3.887

Distribution Coefficient, logD

3.887

Water Solubility, LogSw

-4.26

Polar Surface Area

76.703

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

D549-0279 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with D549-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-0279?
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What is the minimum amount of D549-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-0279
  • 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 D549-0279 available by request