0389-0797 Screening compound: N-(2-benzoyl-4-methylphenyl)-2-(4-butoxybenzamido)benzamide
Chemical Structure Depiction of ChemDiv screening compound 0389-0797
N-(2-benzoyl-4-methylphenyl)-2-(4-butoxybenzamido)benzamide
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
0389-0797
Molecular Formula
C32H30N2O4 (C32 H30 N2 O4)
Compound Name
N-(2-benzoyl-4-methylphenyl)-2-(4-butoxybenzamido)benzamide
IUPAC name
N-(2-benzoyl-4-methylphenyl)-2-(4-butoxybenzamido)benzamide
SMILES
CCCCOc(cc1)ccc1C(Nc(cccc1)c1C(Nc(ccc(C)c1)c1C(c1ccccc1)=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
506.6
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
6.741
Distribution Coefficient, logD
6.739
Water Solubility, LogSw
-5.63
Polar Surface Area
65.910
Acid Dissociation Constant (pKa)
9.63
Base Dissociation Constant (pKb)
-3.53
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.60
0389-0797 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Glucocorticoid receptors Library (4806 compounds)
Histone Deacetylases (HDAC) Targeted Library (9760 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Endocrine
- Cancer
- Nervous system
- Hemic and lymphatic
- Endocrine
- Immune system
- Nuclear receptors
- Receptor's ligands
- Epigenetic
References: we are preparing a list of scientific research reports with 0389-0797 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)