D549-1960 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide

D549-1960 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
D549-1960 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-1960
2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-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

D549-1960

Molecular Formula

C19H17FN6OS2 (C19 H17 FN6 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(Nc2cc(F)ccc2)=O)nnc1-c(sc1ncccc11)c1N

InChI

InChI=1S/C19H17FN6OS2/c1-2-26-17(16-15(21)13-7-4-8-22-18(13)29-16)24-25-19(26)28-10-14(27)23-12-6-3-5-11(20)9-12/h3-9H,2,10,21H2,1H3,(H,23,27)

InChI Key

LGLXAVOQPRQWIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18912802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

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

3.423

Distribution Coefficient, logD

3.422

Water Solubility, LogSw

-3.84

Polar Surface Area

76.654

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with D549-1960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-1960?
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What is the minimum amount of D549-1960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-1960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-1960
  • 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 D549-1960 available by request