D491-4227 Screening compound: 4-methyl-N~5~-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,3-thiadiazole-5-carboxamide
Chemical Structure Depiction of ChemDiv screening compound D491-4227
4-methyl-N~5~-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,3-thiadiazole-5-carboxamide
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
D491-4227
Molecular Formula
C13H12N4O3S (C13 H12 N4 O3 S)
Compound Name
4-methyl-N~5~-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,3-thiadiazole-5-carboxamide
IUPAC name
n/a
SMILES
CC1Oc(ccc(NC(c2c(C)nns2)=O)c2)c2NC1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
304.33
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.330
Distribution Coefficient, logD
1.318
Water Solubility, LogSw
-2.43
Polar Surface Area
78.381
Acid Dissociation Constant (pKa)
8.96
Base Dissociation Constant (pKb)
0.92
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
23.10
D491-4227 in Drug Discovery
Included in Screening Libraries
Antifungal Library (16415 compounds)
Aurora A-B Kinases Targeted Library (9426 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Cancer
- Digestive system
- Male
- Female
- Hemic and lymphatic
- Agro
- Kinases
References: we are preparing a list of scientific research reports with D491-4227 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)