M191-0059 Screening compound: 2-{[3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide

M191-0059 Screening compound: 2-{[3-(2,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
M191-0059 Screening compound: 2-{[3-(2,4-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 M191-0059
2-{[3-(2,4-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

M191-0059

Molecular Formula

C20H18N6O4S (C20 H18 N6 O4 S)

Compound Name

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

IUPAC name

2-{[3-(24-dimethoxyphenyl)-4-oxo-34-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-124-triazol-3-yl)acetamide

SMILES

COc(cc1)cc(OC)c1N1C(SCC(Nc2nnc[nH]2)=O)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C20H18N6O4S/c1-29-12-7-8-15(16(9-12)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

UQAKDBWOUMTNGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141350

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

0.772

Distribution Coefficient, logD

0.758

Water Solubility, LogSw

-2.50

Polar Surface Area

100.020

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M191-0059 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M191-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M191-0059?
Check Price and Availability of M191-0059, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M191-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M191-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M191-0059
  • 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 M191-0059 available by request