M191-0043 Screening compound: 2-({3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide

M191-0043 Screening compound: 2-({3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
M191-0043 Screening compound: 2-({3-[(4-chlorophenyl)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 M191-0043
2-({3-[(4-chlorophenyl)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

M191-0043

Molecular Formula

C19H15ClN6O2S (C19 H15 ClN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N1Cc(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)Nc1nnc[nH]1

InChI

InChI=1S/C19H15ClN6O2S/c20-13-7-5-12(6-8-13)9-26-17(28)14-3-1-2-4-15(14)23-19(26)29-10-16(27)24-18-21-11-22-25-18/h1-8,11H,9-10H2,(H2,21,22,24,25,27)

InChI Key

SYBGXONDHRHVJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.873

Distribution Coefficient, logD

1.859

Water Solubility, LogSw

-3.17

Polar Surface Area

85.758

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

M191-0043 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 M191-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M191-0043?
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What is the minimum amount of M191-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M191-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M191-0043
  • 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 M191-0043 available by request