8009-4294 Screening compound: N-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropane-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound 8009-4294
N-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropane-1-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
8009-4294
Molecular Formula
C12H10Br2N2OS (C12 H10 Br2 N2 OS)
Compound Name
N-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropane-1-carboxamide
IUPAC name
N-(13-benzothiazol-2-yl)-22-dibromo-1-methylcyclopropane-1-carboxamide
SMILES
CC(C1)(C1(Br)Br)C(Nc1nc(cccc2)c2s1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
390.1
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
4.486
Distribution Coefficient, logD
4.486
Water Solubility, LogSw
-4.26
Polar Surface Area
33.614
Acid Dissociation Constant (pKa)
11.08
Base Dissociation Constant (pKb)
3.91
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
33.33
8009-4294 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Human Receptors Annotated Library (5376 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
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 8009-4294 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)