D549-2121 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-(4-fluorophenyl)acetamide

D549-2121 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-(4-fluorophenyl)acetamide
D549-2121 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-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-2121
2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-[(furan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-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

D549-2121

Molecular Formula

C22H17FN6O2S2 (C22 H17 FN6 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-(4-fluorophenyl)acetamide

IUPAC name

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

SMILES

Nc1c(-c(n2Cc3ccco3)nnc2SCC(Nc(cc2)ccc2F)=O)sc2ncccc12

InChI

InChI=1S/C22H17FN6O2S2/c23-13-5-7-14(8-6-13)26-17(30)12-32-22-28-27-20(29(22)11-15-3-2-10-31-15)19-18(24)16-4-1-9-25-21(16)33-19/h1-10H,11-12,24H2,(H,26,30)

InChI Key

PQMHWCMHUVSZJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27592036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.55

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

3.854

Distribution Coefficient, logD

3.853

Water Solubility, LogSw

-4.22

Polar Surface Area

84.406

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D549-2121 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D549-2121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-2121?
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What is the minimum amount of D549-2121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-2121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-2121
  • 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 D549-2121 available by request