K781-3196 Screening compound: 4-{[(butylcarbamoyl)methyl]sulfanyl}-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide
Chemical Structure Depiction of ChemDiv screening compound K781-3196
4-{[(butylcarbamoyl)methyl]sulfanyl}-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide
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
K781-3196
Molecular Formula
C19H19ClFN3O4S (C19 H19 ClFN3 O4 S)
Compound Name
4-{[(butylcarbamoyl)methyl]sulfanyl}-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide
IUPAC name
4-{[(butylcarbamoyl)methyl]sulfanyl}-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide
SMILES
CCCCNC(CSc(ccc(C(Nc(ccc(Cl)c1)c1F)=O)c1)c1[N+]([O-])=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
439.89
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.595
Distribution Coefficient, logD
3.650
Water Solubility, LogSw
-4.77
Polar Surface Area
80.025
Acid Dissociation Constant (pKa)
6.51
Base Dissociation Constant (pKb)
0.39
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
26.30
References: we are preparing a list of scientific research reports with K781-3196 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)