D549-0064 Screening compound: 2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine

D549-0064 Screening compound: 2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine
D549-0064 Screening compound: 2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-0064
2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine

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

D549-0064

Molecular Formula

C18H17N5OS2 (C18 H17 N5 OS2)

Compound Name

2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine

IUPAC name

2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-4H-124-triazol-3-yl)thieno[23-b]pyridin-3-amine

SMILES

Cn1c(SCc2cc(OC)ccc2)nnc1-c(sc1ncccc11)c1N

InChI

InChI=1S/C18H17N5OS2/c1-23-16(15-14(19)13-7-4-8-20-17(13)26-15)21-22-18(23)25-10-11-5-3-6-12(9-11)24-2/h3-9H,10,19H2,1-2H3

InChI Key

DAVQEXOLQIUVEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.313

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-3.56

Polar Surface Area

62.133

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D549-0064 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D549-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-0064?
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What is the minimum amount of D549-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-0064
  • 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 D549-0064 available by request