K781-5218 Screening compound: 2-{[(3-bromophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound K781-5218
2-{[(3-bromophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
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
K781-5218
Molecular Formula
C13H10BrNO2S (C13 H10 BrNO2 S)
Compound Name
2-{[(3-bromophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
IUPAC name
2-{[(3-bromophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
SMILES
OC(c1cccnc1SCc1cccc(Br)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
324.2
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
3.593
Distribution Coefficient, logD
1.495
Water Solubility, LogSw
-3.70
Polar Surface Area
37.554
Acid Dissociation Constant (pKa)
5.31
Base Dissociation Constant (pKb)
-0.34
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
7.70
K781-5218 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Antiviral Annotated Library (21441 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
New Agro Library (44492 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- 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
- Agro
- Phosphatases
- Phosphatases
References: we are preparing a list of scientific research reports with K781-5218 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)