8015-3269 Screening compound: methyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate
Chemical Structure Depiction of ChemDiv screening compound 8015-3269
methyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate
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
8015-3269
Molecular Formula
C11H11NO3S (C11 H11 NO3 S)
Compound Name
methyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate
IUPAC name
methyl 2-(3-oxo-34-dihydro-2H-14-benzothiazin-2-yl)acetate
SMILES
COC(CC1Sc(cccc2)c2NC1=O)=O
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
237.28
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
1.444
Distribution Coefficient, logD
1.444
Water Solubility, LogSw
-2.10
Polar Surface Area
45.695
Acid Dissociation Constant (pKa)
13.11
Base Dissociation Constant (pKb)
-3.11
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
27.27
8015-3269 in Drug Discovery
Included in Screening Libraries
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Epigenetic
References: we are preparing a list of scientific research reports with 8015-3269 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)