D549-0016 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide

D549-0016 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
D549-0016 Screening compound: 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-0016
2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dichlorophenyl)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

D549-0016

Molecular Formula

C18H14Cl2N6OS2 (C18 H14 Cl2 N6 OS2)

Compound Name

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

IUPAC name

2-[(5-{3-aminothieno[23-b]pyridin-2-yl}-4-methyl-4H-124-triazol-3-yl)sulfanyl]-N-(35-dichlorophenyl)acetamide

SMILES

Cn1c(SCC(Nc2cc(Cl)cc(Cl)c2)=O)nnc1-c(sc1c2cccn1)c2N

InChI

InChI=1S/C18H14Cl2N6OS2/c1-26-16(15-14(21)12-3-2-4-22-17(12)29-15)24-25-18(26)28-8-13(27)23-11-6-9(19)5-10(20)7-11/h2-7H,8,21H2,1H3,(H,23,27)

InChI Key

XGUSYIHCTZCOFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18912732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.186

Distribution Coefficient, logD

4.175

Water Solubility, LogSw

-4.52

Polar Surface Area

77.739

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with D549-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-0016?
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What is the minimum amount of D549-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-0016
  • 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 D549-0016 available by request