C269-0475 Screening compound: (1R,9S)-10-(4-ethoxyphenyl)-4-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C269-0475 Screening compound: (1R,9S)-10-(4-ethoxyphenyl)-4-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C269-0475 Screening compound: (1R,9S)-10-(4-ethoxyphenyl)-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 C269-0475
(1R,9S)-10-(4-ethoxyphenyl)-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

C269-0475

Molecular Formula

C20H22N2O4 (C20 H22 N2 O4)

Compound Name

(1R,9S)-10-(4-ethoxyphenyl)-4-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

(1R9S)-10-(4-ethoxyphenyl)-4-methoxy-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CCOc(cc1)ccc1N([C@](C)(C[C@H]1N2)Oc(cc3)c1cc3OC)C2=O

InChI

InChI=1S/C20H22N2O4/c1-4-25-14-7-5-13(6-8-14)22-19(23)21-17-12-20(22,2)26-18-10-9-15(24-3)11-16(17)18/h5-11,17H,4,12H2,1-3H3,(H,21,23)/t17-,20-/m0/s1

InChI Key

MCDKWXOBZMWHIF-PXNSSMCTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.799

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-4.04

Polar Surface Area

47.744

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

C269-0475 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C269-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C269-0475?
Check Price and Availability of C269-0475, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C269-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C269-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C269-0475
  • 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 C269-0475 available by request