M191-0063 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide

M191-0063 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
M191-0063 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-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 M191-0063
2-{[3-(3,4-dimethoxyphenyl)-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

M191-0063

Molecular Formula

C20H18N6O4S (C20 H18 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(N1C(SCC(Nc2nnc[nH]2)=O)=Nc(cccc2)c2C1=O)c1)c1OC

InChI

InChI=1S/C20H18N6O4S/c1-29-15-8-7-12(9-16(15)30-2)26-18(28)13-5-3-4-6-14(13)23-20(26)31-10-17(27)24-19-21-11-22-25-19/h3-9,11H,10H2,1-2H3,(H2,21,22,24,25,27)

InChI Key

TXMVBKCGSUNURS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.345

Distribution Coefficient, logD

0.331

Water Solubility, LogSw

-2.49

Polar Surface Area

100.407

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M191-0063 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M191-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M191-0063?
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What is the minimum amount of M191-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M191-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M191-0063
  • 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 M191-0063 available by request