C263-0123 Screening compound: 1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 2-chlorobenzoate
Chemical Structure Depiction of ChemDiv screening compound C263-0123
1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 2-chlorobenzoate
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
C263-0123
Molecular Formula
C22H23ClN2O4S (C22 H23 ClN2 O4 S)
Compound Name
1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 2-chlorobenzoate
IUPAC name
1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl 2-chlorobenzoate
SMILES
CC(C)(C)n1nc(C)c(S(c2ccc(C)cc2)(=O)=O)c1OC(c(cccc1)c1Cl)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
446.95
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.811
Distribution Coefficient, logD
4.811
Water Solubility, LogSw
-4.89
Polar Surface Area
65.018
Acid Dissociation Constant (pKa)
28.80
Base Dissociation Constant (pKb)
-0.79
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
27.30
C263-0123 in Drug Discovery
Included in Screening Libraries
Antifungal Library (16415 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Neuropeptide S Library (2850 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Digestive system
- Nervous system
- Agro
- Others
- GPCR
- Epigenetic
- Receptor's ligands
References: we are preparing a list of scientific research reports with C263-0123 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)