G217-1242 Screening compound: N-[4-({[(4-butoxyphenyl)methyl]carbamoyl}methyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound G217-1242
N-[4-({[(4-butoxyphenyl)methyl]carbamoyl}methyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-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
G217-1242
Molecular Formula
C30H35N3O3 (C30 H35 N3 O3)
Compound Name
N-[4-({[(4-butoxyphenyl)methyl]carbamoyl}methyl)phenyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
IUPAC name
N-[4-({[(4-butoxyphenyl)methyl]carbamoyl}methyl)phenyl]-2345-tetrahydro-1H-1-benzazepine-1-carboxamide
SMILES
CCCCOc1ccc(CNC(Cc(cc2)ccc2NC(N(CCCC2)c3c2cccc3)=O)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
485.63
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
6.180
Distribution Coefficient, logD
6.180
Water Solubility, LogSw
-5.35
Polar Surface Area
56.321
Acid Dissociation Constant (pKa)
13.44
Base Dissociation Constant (pKb)
-0.33
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
G217-1242 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS targets activity set (6557 compounds)
Glucocorticoid receptors Library (4806 compounds)
MCL1 Targeted Library (12200 compounds)
Protein-Protein Interaction Library (218420 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Antibacterial Compounds Library (13827 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Recognition Elements PPI Library (24135 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Cancer
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- Endocrine
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Infections
- Immune system
- animal
- Nuclear receptors
- Receptor's ligands
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with G217-1242 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)