0052-0056 Screening compound: 2-bromo-1-(4-bromophenyl)ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound 0052-0056
2-bromo-1-(4-bromophenyl)ethan-1-one
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
0052-0056
Molecular Formula
C8H6Br2O (C8 H6 Br2 O)
Compound Name
2-bromo-1-(4-bromophenyl)ethan-1-one
IUPAC name
2-bromo-1-(4-bromophenyl)ethan-1-one
SMILES
O=C(CBr)c(cc1)ccc1Br
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
277.94
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
1
Partition Coefficient, logP
3.018
Distribution Coefficient, logD
3.018
Water Solubility, LogSw
-3.15
Polar Surface Area
13.485
Acid Dissociation Constant (pKa)
18.65
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
12.50
0052-0056 in Drug Discovery
Included in Screening Libraries
Human Kinases Annotated Library (2415 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Covalent Inhibitors Library (7986 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)
Included in 1.7M Stock Database
- Cyclic compounds
- 3D
- Fragments
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Cancer
- Digestive system
- Nervous system
- Female
- Metabolic
- Endocrine
- Epigenetic
- Receptor's ligands
- Phosphatases
- Phosphatases
References: we are preparing a list of scientific research reports with 0052-0056 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)