K784-4105 Screening compound: ethyl 4-({N-[(4-bromophenyl)methyl]3-[(3,4-difluorophenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate
Chemical Structure Depiction of ChemDiv screening compound K784-4105
ethyl 4-({N-[(4-bromophenyl)methyl]3-[(3,4-difluorophenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate
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
K784-4105
Molecular Formula
C30H24BrF3N2O5S (C30 H24 BrF3 N2 O5 S)
Compound Name
ethyl 4-({N-[(4-bromophenyl)methyl]3-[(3,4-difluorophenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate
IUPAC name
ethyl 4-({N-[(4-bromophenyl)methyl]3-[(34-difluorophenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate
SMILES
CCOC(c1ccc(CN(Cc(cc2)ccc2Br)S(c(cc2)cc(C(Nc(cc3)cc(F)c3F)=O)c2F)(=O)=O)cc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
661.5
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
7.563
Distribution Coefficient, logD
6.085
Water Solubility, LogSw
-5.71
Polar Surface Area
75.187
Acid Dissociation Constant (pKa)
5.94
Base Dissociation Constant (pKb)
-4.54
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
13.30
K784-4105 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Eccentric PPI Library (11937 compounds)
Protein-Protein Interaction Library (218420 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- PPI modulators
- PPI modulators
- Cyclic compounds
- Phosphatases
References: we are preparing a list of scientific research reports with K784-4105 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)