J109-0760 Screening compound: 2-(23-DIHYDRO-1-BENZOFURAN-6-YL)-N-[(7S)-28-DIOXO-39-DIAZATRICYCLO[8.4.0.0{37}]TETRADECA-1(14)1012-TRIEN-13-YL]ACETAMIDE
Chemical Structure Depiction of ChemDiv screening compound J109-0760
2-(23-DIHYDRO-1-BENZOFURAN-6-YL)-N-[(7S)-28-DIOXO-39-DIAZATRICYCLO[8.4.0.0{37}]TETRADECA-1(14)1012-TRIEN-13-YL]ACETAMIDE
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
J109-0760
Molecular Formula
C22H21N3O4 (C22 H21 N3 O4)
Compound Name
2-(23-DIHYDRO-1-BENZOFURAN-6-YL)-N-[(7S)-28-DIOXO-39-DIAZATRICYCLO[8.4.0.0{37}]TETRADECA-1(14)1012-TRIEN-13-YL]ACETAMIDE
IUPAC name
2-(23-dihydro-1-benzofuran-6-yl)-N-[(7S)-28-dioxo-39-diazatricyclo[8.4.0.0^{37}]tetradeca-1(14)1012-trien-13-yl]acetamide
SMILES
O=C(Cc1cc(OCC2)c2cc1)Nc(cc1)cc(C(N2[C@H]3CCC2)=O)c1NC3=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
391.43
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.975
Distribution Coefficient, logD
1.895
Water Solubility, LogSw
-2.80
Polar Surface Area
73.164
Acid Dissociation Constant (pKa)
8.10
Base Dissociation Constant (pKb)
-1.36
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
31.82
J109-0760 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Anticancer Library (62698 compounds)
Antimitotic Tubulin Library (17355 compounds)
Antiviral Library (67538 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Cancer
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Antiviral
- Infections
- Immune system
- Cancer
- Hemic and lymphatic
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Antiviral
- Infections
- Immune system
- Kinases
- Others
- PPI modulators
- PPI modulators
- Epigenetic
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with J109-0760 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)