D549-1991 Screening compound: methyl 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate

D549-1991 Screening compound: methyl 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
D549-1991 Screening compound: methyl 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D549-1991
methyl 2-[(5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-ethyl-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

D549-1991

Molecular Formula

C14H15N5O2S2 (C14 H15 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(OC)=O)nnc1-c(sc1ncccc11)c1N

InChI

InChI=1S/C14H15N5O2S2/c1-3-19-12(17-18-14(19)22-7-9(20)21-2)11-10(15)8-5-4-6-16-13(8)23-11/h4-6H,3,7,15H2,1-2H3

InChI Key

ZPJHTWGQKJCEGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13370478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.44

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

1.890

Distribution Coefficient, logD

1.888

Water Solubility, LogSw

-2.34

Polar Surface Area

74.355

Acid Dissociation Constant (pKa)

19.26

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D549-1991 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 D549-1991 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of D549-1991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D549-1991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D549-1991
  • 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 D549-1991 available by request