M191-0021 Screening compound: 2-({3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide

M191-0021 Screening compound: 2-({3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
M191-0021 Screening compound: 2-({3-[(4-methoxyphenyl)methyl]-4-oxo-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 M191-0021
2-({3-[(4-methoxyphenyl)methyl]-4-oxo-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

M191-0021

Molecular Formula

C18H16N6O3S2 (C18 H16 N6 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CN(C2=O)C(SCC(Nc3nnc[nH]3)=O)=Nc3c2scc3)cc1

InChI

InChI=1S/C18H16N6O3S2/c1-27-12-4-2-11(3-5-12)8-24-16(26)15-13(6-7-28-15)21-18(24)29-9-14(25)22-17-19-10-20-23-17/h2-7,10H,8-9H2,1H3,(H2,19,20,22,23,25)

InChI Key

CUFFSNHYRXDWTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.482

Distribution Coefficient, logD

1.468

Water Solubility, LogSw

-2.40

Polar Surface Area

94.320

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

M191-0021 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Proteases

References: we are preparing a list of scientific research reports with M191-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M191-0021?
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What is the minimum amount of M191-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M191-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M191-0021
  • 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 M191-0021 available by request