G202-0246 Screening compound: N-benzyl-10-methyl-4-(3-methylbutyl)-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of ChemDiv screening compound G202-0246
N-benzyl-10-methyl-4-(3-methylbutyl)-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-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
G202-0246
Molecular Formula
C25H29N3O2S (C25 H29 N3 O2 S)
Compound Name
N-benzyl-10-methyl-4-(3-methylbutyl)-3-oxo-2H,3H,4H,5H,10H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
IUPAC name
N-benzyl-10-methyl-4-(3-methylbutyl)-3-oxo-2H3H4H5H10H-[14]thiazepino[76-b]indole-5-carboxamide
SMILES
CC(C)CCN(C(C(NCc1ccccc1)=O)c(c(cccc1)c1n1C)c1SC1)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
435.59
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.384
Distribution Coefficient, logD
4.384
Water Solubility, LogSw
-4.08
Polar Surface Area
41.851
Acid Dissociation Constant (pKa)
12.27
Base Dissociation Constant (pKb)
-0.95
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
36.00
G202-0246 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Antiparasite Library (23996 compounds)
Cyclic Ugi PPI Library (9586 compounds)
DGK Inhibitors Library (10558 compounds)
GPCR Targeted Library (31838 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Anti-HIV1 Library (19540 compounds)
Developmental Pathway (Hh/Wnt) Set (2238 compounds)
Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)
Peptidomimetic Library (37031 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Infections
- Immune system
- animal
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Hemic and lymphatic
- Cardiovascular
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Female
- Hemic and lymphatic
- Skin
- Kinases
- Kinases
- GPCR
- Others
- Agro
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
- Mimetics
- Mimetics
- Mimetics
References: we are preparing a list of scientific research reports with G202-0246 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)