D549-1794 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopentyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide

D549-1794 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopentyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
D549-1794 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopentyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-1794
2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopentyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)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

D549-1794

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-(2-methylphenyl)acetamide

IUPAC name

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

SMILES

Cc(cccc1)c1NC(CSc1nnc(-c(sc2ncccc22)c2N)n1C1CCCC1)=O

InChI

InChI=1S/C23H24N6OS2/c1-14-7-2-5-11-17(14)26-18(30)13-31-23-28-27-21(29(23)15-8-3-4-9-15)20-19(24)16-10-6-12-25-22(16)32-20/h2,5-7,10-12,15H,3-4,8-9,13,24H2,1H3,(H,26,30)

InChI Key

VWEIQXCZHJYYLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591929

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

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.775

Distribution Coefficient, logD

3.773

Water Solubility, LogSw

-3.96

Polar Surface Area

76.902

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with D549-1794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-1794?
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What is the minimum amount of D549-1794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-1794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-1794
  • 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 D549-1794 available by request