D345-0552 Screening compound: 3-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound D345-0552
3-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-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
D345-0552
Molecular Formula
C17H15ClN2OS2 (C17 H15 ClN2 OS2)
Compound Name
3-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
IUPAC name
3-chloro-N-(6-methyl-4567-tetrahydro-13-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
SMILES
CC(CC1)Cc2c1nc(NC(c(sc1c3cccc1)c3Cl)=O)s2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
362.9
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
5.843
Distribution Coefficient, logD
4.790
Water Solubility, LogSw
-6.08
Polar Surface Area
35.544
Acid Dissociation Constant (pKa)
6.39
Base Dissociation Constant (pKb)
3.61
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
29.40
D345-0552 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Targeted Diversity Library (40567 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Kinases
- Epigenetic
- Agro
References: we are preparing a list of scientific research reports with D345-0552 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)