M191-0060 Screening compound: 2-({3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide

M191-0060 Screening compound: 2-({3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
M191-0060 Screening compound: 2-({3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M191-0060
2-({3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydroquinazolin-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

M191-0060

Molecular Formula

C20H18N6O3S (C20 H18 N6 O3 S)

Compound Name

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

IUPAC name

2-({3-[(4-methoxyphenyl)methyl]-4-oxo-34-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-124-triazol-3-yl)acetamide

SMILES

COc1ccc(CN2C(SCC(Nc3nnc[nH]3)=O)=Nc(cccc3)c3C2=O)cc1

InChI

InChI=1S/C20H18N6O3S/c1-29-14-8-6-13(7-9-14)10-26-18(28)15-4-2-3-5-16(15)23-20(26)30-11-17(27)24-19-21-12-22-25-19/h2-9,12H,10-11H2,1H3,(H2,21,22,24,25,27)

InChI Key

BMBKQZWMMIDDSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.47

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

1.261

Distribution Coefficient, logD

1.247

Water Solubility, LogSw

-2.51

Polar Surface Area

93.302

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M191-0060 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M191-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M191-0060?
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What is the minimum amount of M191-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M191-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M191-0060
  • 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 M191-0060 available by request