0118-0114 Screening compound: 4-chloro-3-nitrobenzoate
Chemical Structure Depiction of ChemDiv screening compound 0118-0114
4-chloro-3-nitrobenzoate
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
0118-0114
Molecular Formula
C7H3ClNO4 (C7 H3 ClNO4)
Compound Name
4-chloro-3-nitrobenzoate
IUPAC name
4-chloro-3-nitrobenzoate
SMILES
[O-]C(c(cc1)cc([N+]([O-])=O)c1Cl)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
Na+
Molecular Weight
200.56
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.228
Distribution Coefficient, logD
2.228
Water Solubility, LogSw
-2.95
Polar Surface Area
61.727
Acid Dissociation Constant (pKa)
14.00
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
0118-0114 in Drug Discovery
Included in Screening Libraries
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 0118-0114 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)