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

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
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 alternative view

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

InChI=1S/C20H22N2O3/c1-12-7-13(2)9-14(8-12)22-19(23)21-17-11-20(22,3)25-18-6-5-15(24-4)10-16(17)18/h5-10,17H,11H2,1-4H3,(H,21,23)/t17-,20+/m1/s1

InChI Key

GSHHMPHBEQYWSP-XLIONFOSSA-N

MDL Number (MFCD)

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

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • 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

How to purchase chemical compound C269-0484?
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What is the minimum amount of C269-0484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C269-0484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C269-0484
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C269-0484 available by request