D630-0049 Screening compound: 4-ethoxy-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]benzene-1-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound D630-0049
4-ethoxy-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]benzene-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
D630-0049
Molecular Formula
C20H21NO5S3 (C20 H21 NO5 S3)
Compound Name
4-ethoxy-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]benzene-1-sulfonamide
IUPAC name
4-ethoxy-N-[2-phenyl-2-(thiophene-2-sulfonyl)ethyl]benzene-1-sulfonamide
SMILES
CCOc(cc1)ccc1S(NCC(c1ccccc1)S(c1cccs1)(=O)=O)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
451.59
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.035
Distribution Coefficient, logD
4.035
Water Solubility, LogSw
-3.98
Polar Surface Area
79.639
Acid Dissociation Constant (pKa)
11.70
Base Dissociation Constant (pKb)
-8.22
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
20.00
D630-0049 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Others
- Epigenetic
References: we are preparing a list of scientific research reports with D630-0049 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)