C269-0484 Screening compound: (1S,9S)-10-(3,5-dimethylphenyl)-4-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
Chemical Structure Depiction of ChemDiv screening compound C269-0484
(1S,9S)-10-(3,5-dimethylphenyl)-4-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
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
C269-0484
Molecular Formula
C20H22N2O3 (C20 H22 N2 O3)
Compound Name
(1S,9S)-10-(3,5-dimethylphenyl)-4-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
IUPAC name
(1S9S)-10-(35-dimethylphenyl)-4-methoxy-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one
SMILES
C[C@](C[C@@H]1N2)(N(c3cc(C)cc(C)c3)C2=O)Oc(cc2)c1cc2OC
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
338.41
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.466
Distribution Coefficient, logD
4.466
Water Solubility, LogSw
-4.44
Polar Surface Area
40.621
Acid Dissociation Constant (pKa)
15.18
Base Dissociation Constant (pKb)
-1.45
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
35.00
C269-0484 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Epigenetic
- PPI modulators
- PPI modulators
- Cyclic compounds
- Cyclic compounds
References: we are preparing a list of scientific research reports with C269-0484 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)