Y500-5961 Screening compound: isopropyl 4-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)benzoate
Chemical Structure Depiction of ChemDiv screening compound Y500-5961
isopropyl 4-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)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
Y500-5961
Molecular Formula
C24H22ClNO4 (C24 H22 ClNO4)
Compound Name
isopropyl 4-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)benzoate
IUPAC name
propan-2-yl 4-{4-[(4-chlorophenoxy)methyl]benzamido}benzoate
SMILES
CC(C)OC(c(cc1)ccc1NC(c1ccc(COc(cc2)ccc2Cl)cc1)=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
423.9
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.726
Distribution Coefficient, logD
5.721
Water Solubility, LogSw
-6.08
Polar Surface Area
50.990
Acid Dissociation Constant (pKa)
9.42
Base Dissociation Constant (pKb)
-3.98
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
16.67
References: we are preparing a list of scientific research reports with Y500-5961 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)