5591-1893 Screening compound: N-(3-chloro-4-hydroxyphenyl)-2,4,5-trimethylbenzene-1-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound 5591-1893
N-(3-chloro-4-hydroxyphenyl)-2,4,5-trimethylbenzene-1-sulfonamide
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
5591-1893
Molecular Formula
C15H16ClNO3S (C15 H16 ClNO3 S)
Compound Name
N-(3-chloro-4-hydroxyphenyl)-2,4,5-trimethylbenzene-1-sulfonamide
IUPAC name
N-(3-chloro-4-hydroxyphenyl)-245-trimethylbenzene-1-sulfonamide
SMILES
Cc(c(C)c1)cc(C)c1S(Nc(cc1)cc(Cl)c1O)(=O)=O
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
325.82
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
4.610
Distribution Coefficient, logD
3.197
Water Solubility, LogSw
-4.25
Polar Surface Area
57.436
Acid Dissociation Constant (pKa)
6.00
Base Dissociation Constant (pKb)
-9.09
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
5591-1893 in Drug Discovery
Included in Screening Libraries
Neuropeptide S Library (2850 compounds)
Included in 1.7M Stock Database
- Digestive system
- Nervous system
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with 5591-1893 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)