C481-1144 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(3-ethylphenyl)-3-phenylpropanamide
Chemical Structure Depiction of ChemDiv screening compound C481-1144
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(3-ethylphenyl)-3-phenylpropanamide
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
C481-1144
Molecular Formula
C23H22N4O3S2 (C23 H22 N4 O3 S2)
Compound Name
2-(2,1,3-benzothiadiazole-4-sulfonamido)-N-(3-ethylphenyl)-3-phenylpropanamide
IUPAC name
2-(213-benzothiadiazole-4-sulfonamido)-N-(3-ethylphenyl)-3-phenylpropanamide
SMILES
CCc1cccc(NC(C(Cc2ccccc2)NS(c2cccc3nsnc23)(=O)=O)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
466.58
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.641
Distribution Coefficient, logD
4.637
Water Solubility, LogSw
-4.45
Polar Surface Area
85.884
Acid Dissociation Constant (pKa)
9.35
Base Dissociation Constant (pKb)
-0.40
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
17.40
C481-1144 in Drug Discovery
Included in Screening Libraries
Protein Arginine Methyltransferases Library (27925 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Others
- Proteases
- Epigenetic
References: we are preparing a list of scientific research reports with C481-1144 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)