M191-0029 Screening compound: 2-({4-oxo-3-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide

M191-0029 Screening compound: 2-({4-oxo-3-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
M191-0029 Screening compound: 2-({4-oxo-3-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M191-0029
2-({4-oxo-3-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)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

M191-0029

Molecular Formula

C16H12N6O2S2 (C16 H12 N6 O2 S2)

Compound Name

2-({4-oxo-3-phenyl-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide

IUPAC name

2-({4-oxo-3-phenyl-3H4H-thieno[32-d]pyrimidin-2-yl}sulfanyl)-N-(4H-124-triazol-3-yl)acetamide

SMILES

O=C(CSC(N(c1ccccc1)C1=O)=Nc2c1scc2)Nc1nnc[nH]1

InChI

InChI=1S/C16H12N6O2S2/c23-12(20-15-17-9-18-21-15)8-26-16-19-11-6-7-25-13(11)14(24)22(16)10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,17,18,20,21,23)

InChI Key

GTDSABDLSOYHAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27534012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.903

Distribution Coefficient, logD

0.888

Water Solubility, LogSw

-2.13

Polar Surface Area

86.165

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

M191-0029 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with M191-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M191-0029?
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What is the minimum amount of M191-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M191-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M191-0029
  • 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 M191-0029 available by request