D549-1907 Screening compound: methyl 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate

D549-1907 Screening compound: methyl 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
D549-1907 Screening compound: methyl 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-1907
methyl 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate

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

D549-1907

Molecular Formula

C15H15N5O2S2 (C15 H15 N5 O2 S2)

Compound Name

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

IUPAC name

methyl 2-[(5-{3-aminothieno[23-b]pyridin-2-yl}-4-cyclopropyl-4H-124-triazol-3-yl)sulfanyl]acetate

SMILES

COC(CSc1nnc(-c(sc2ncccc22)c2N)n1C1CC1)=O

InChI

InChI=1S/C15H15N5O2S2/c1-22-10(21)7-23-15-19-18-13(20(15)8-4-5-8)12-11(16)9-3-2-6-17-14(9)24-12/h2-3,6,8H,4-5,7,16H2,1H3

InChI Key

FOPMXJVSCGJDNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.020

Distribution Coefficient, logD

2.019

Water Solubility, LogSw

-2.36

Polar Surface Area

75.266

Acid Dissociation Constant (pKa)

17.58

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D549-1907 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D549-1907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D549-1907?
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What is the minimum amount of D549-1907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-1907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-1907
  • 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 D549-1907 available by request