D549-0082 Screening compound: 2-(5-{[(3-fluoro-4-methoxyphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine

D549-0082 Screening compound: 2-(5-{[(3-fluoro-4-methoxyphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine
D549-0082 Screening compound: 2-(5-{[(3-fluoro-4-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 D549-0082
2-(5-{[(3-fluoro-4-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

D549-0082

Molecular Formula

C18H16FN5OS2 (C18 H16 FN5 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SCc(cc2)cc(F)c2OC)nnc1-c(sc1ncccc11)c1N

InChI

InChI=1S/C18H16FN5OS2/c1-24-16(15-14(20)11-4-3-7-21-17(11)27-15)22-23-18(24)26-9-10-5-6-13(25-2)12(19)8-10/h3-8H,9,20H2,1-2H3

InChI Key

UZCVLUXQVBFBCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

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

3.217

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-3.31

Polar Surface Area

62.220

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D549-0082 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D549-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-0082?
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What is the minimum amount of D549-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-0082
  • 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 D549-0082 available by request