C612-0572 Screening compound: N-(4-chlorophenyl)-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C612-0572
N-(4-chlorophenyl)-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide
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
C612-0572
Molecular Formula
C18H17ClN2O2 (C18 H17 ClN2 O2)
Compound Name
N-(4-chlorophenyl)-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide
IUPAC name
N-(4-chlorophenyl)-3-oxo-2-propyl-23-dihydro-1H-isoindole-4-carboxamide
SMILES
CCCN(Cc1cccc(C(Nc(cc2)ccc2Cl)=O)c11)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
328.8
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.756
Distribution Coefficient, logD
3.751
Water Solubility, LogSw
-4.72
Polar Surface Area
40.226
Acid Dissociation Constant (pKa)
9.35
Base Dissociation Constant (pKb)
-3.37
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
22.20
C612-0572 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
Included in 1.7M Stock Database
- Cancer
References: we are preparing a list of scientific research reports with C612-0572 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)