F972-0102 Screening compound: N-(4-phenylbutan-2-yl)-2-[2-(4-propanamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide
Chemical Structure Depiction of ChemDiv screening compound F972-0102
N-(4-phenylbutan-2-yl)-2-[2-(4-propanamidophenyl)ethyl]-1H-1,3-benzodiazole-5-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
F972-0102
Molecular Formula
C29H32N4O2 (C29 H32 N4 O2)
Compound Name
N-(4-phenylbutan-2-yl)-2-[2-(4-propanamidophenyl)ethyl]-1H-1,3-benzodiazole-5-carboxamide
IUPAC name
N-(4-phenylbutan-2-yl)-2-[2-(4-propanamidophenyl)ethyl]-1H-13-benzodiazole-5-carboxamide
SMILES
CCC(Nc1ccc(CCc2nc(cc(cc3)C(NC(C)CCc4ccccc4)=O)c3[nH]2)cc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
468.6
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.094
Distribution Coefficient, logD
5.089
Water Solubility, LogSw
-4.92
Polar Surface Area
67.253
Acid Dissociation Constant (pKa)
10.80
Base Dissociation Constant (pKb)
5.41
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
27.60
F972-0102 in Drug Discovery
Included in Screening Libraries
Glucocorticoid receptors Library (4806 compounds)
PI3K-Targeted Library (17255 compounds)
Regenerative Medicine Focused Library (23016 compounds)
SmartTM Library (51161 compounds)
Epigenetics Focused Set (26518 compounds)
Histone Deacetylases (HDAC) Targeted Library (9760 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Endocrine
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Cancer
- Nervous system
- Hemic and lymphatic
- Endocrine
- Immune system
- Nuclear receptors
- Kinases
- Receptor's ligands
- Epigenetic
References: we are preparing a list of scientific research reports with F972-0102 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)