K222-0514 Screening compound: 3-[2-(4-chlorobenzenesulfonyl)acetyl]-7-methoxy-2H-chromen-2-one
Chemical Structure Depiction of ChemDiv screening compound K222-0514
3-[2-(4-chlorobenzenesulfonyl)acetyl]-7-methoxy-2H-chromen-2-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
K222-0514
Molecular Formula
C18H13ClO6S (C18 H13 ClO6 S)
Compound Name
3-[2-(4-chlorobenzenesulfonyl)acetyl]-7-methoxy-2H-chromen-2-one
IUPAC name
3-[2-(4-chlorobenzenesulfonyl)acetyl]-7-methoxy-2H-chromen-2-one
SMILES
COc(cc1)cc(O2)c1C=C(C(CS(c(cc1)ccc1Cl)(=O)=O)=O)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
392.82
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.872
Distribution Coefficient, logD
2.872
Water Solubility, LogSw
-3.47
Polar Surface Area
70.716
Acid Dissociation Constant (pKa)
13.69
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
11.10
K222-0514 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
- Immune system
References: we are preparing a list of scientific research reports with K222-0514 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)