M191-0065 Screening compound: 2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of ChemDiv screening compound M191-0065
2-{[3-(4-ethoxyphenyl)-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
M191-0065
Molecular Formula
C20H18N6O3S (C20 H18 N6 O3 S)
Compound Name
2-{[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-1,2,4-triazol-3-yl)acetamide
IUPAC name
2-{[3-(4-ethoxyphenyl)-4-oxo-34-dihydroquinazolin-2-yl]sulfanyl}-N-(4H-124-triazol-3-yl)acetamide
SMILES
CCOc(cc1)ccc1N1C(SCC(Nc2nnc[nH]2)=O)=Nc(cccc2)c2C1=O
InChI Key
MDL Number (MFCD)
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
1.056
Distribution Coefficient, logD
1.042
Water Solubility, LogSw
-2.48
Polar Surface Area
92.270
Acid Dissociation Constant (pKa)
6.36
Base Dissociation Constant (pKb)
2.80
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.00
M191-0065 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
- 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
- Kinases
- Kinases
- Proteases
References: we are preparing a list of scientific research reports with M191-0065 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)