1222-0166 Screening compound: 4-chlorophenyl 4-pentylbenzoate
Chemical Structure Depiction of ChemDiv screening compound 1222-0166
4-chlorophenyl 4-pentylbenzoate
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
1222-0166
Molecular Formula
C18H19ClO2 (C18 H19 ClO2)
Compound Name
4-chlorophenyl 4-pentylbenzoate
IUPAC name
4-chlorophenyl 4-pentylbenzoate
SMILES
CCCCCc(cc1)ccc1C(Oc(cc1)ccc1Cl)=O
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
302.8
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
2
Partition Coefficient, logP
6.408
Distribution Coefficient, logD
6.408
Water Solubility, LogSw
-6.33
Polar Surface Area
20.616
Acid Dissociation Constant (pKa)
26.69
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
27.80
1222-0166 in Drug Discovery
Included in Screening Libraries
Frequent Hitters Library (7624 compounds)
Included in 1.7M Stock Database
- Pool
References: we are preparing a list of scientific research reports with 1222-0166 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)