D549-2112 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide

D549-2112 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
D549-2112 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-2112
2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethylphenyl)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

D549-2112

Molecular Formula

C24H22N6O2S2 (C24 H22 N6 O2 S2)

Compound Name

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

IUPAC name

2-[(5-{3-aminothieno[23-b]pyridin-2-yl}-4-[(furan-2-yl)methyl]-4H-124-triazol-3-yl)sulfanyl]-N-(34-dimethylphenyl)acetamide

SMILES

Cc(cc1)c(C)cc1NC(CSc1nnc(-c(sc2ncccc22)c2N)n1Cc1ccco1)=O

InChI

InChI=1S/C24H22N6O2S2/c1-14-7-8-16(11-15(14)2)27-19(31)13-33-24-29-28-22(30(24)12-17-5-4-10-32-17)21-20(25)18-6-3-9-26-23(18)34-21/h3-11H,12-13,25H2,1-2H3,(H,27,31)

InChI Key

HGRBKTYBCCAFCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27592031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.813

Distribution Coefficient, logD

4.811

Water Solubility, LogSw

-4.88

Polar Surface Area

84.406

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D549-2112 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D549-2112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-2112?
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What is the minimum amount of D549-2112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-2112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-2112
  • 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 D549-2112 available by request