1483-0020 Screening compound: 2-chloro-N-[(2Z)-3-phenyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide
Chemical Structure Depiction of ChemDiv screening compound 1483-0020
2-chloro-N-[(2Z)-3-phenyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]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
1483-0020
Molecular Formula
C15H11ClN2OS (C15 H11 ClN2 OS)
Compound Name
2-chloro-N-[(2Z)-3-phenyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide
IUPAC name
2-chloro-N-[(2Z)-3-phenyl-23-dihydro-13-benzothiazol-2-ylidene]acetamide
SMILES
O=C(CCl)/N=C1\Sc(cccc2)c2N1c1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
302.78
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
2.878
Distribution Coefficient, logD
2.878
Water Solubility, LogSw
-3.26
Polar Surface Area
24.705
Acid Dissociation Constant (pKa)
13.40
Base Dissociation Constant (pKb)
1.45
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
6.70
1483-0020 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Nucleic Acid Ligands (8311 compounds)
Covalent Inhibitors Library (7986 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
- Infections
- Cancer
- Musculoskeletal
- Nervous system
- Hemic and lymphatic
- Immune system
- Cyclic compounds
- 3D
- Fragments
References: we are preparing a list of scientific research reports with 1483-0020 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)