6564-0005 Screening compound: benzyl 9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxylate

6564-0005 Screening compound: benzyl 9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxylate
6564-0005 Screening compound: benzyl 9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6564-0005
benzyl 9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxylate

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

6564-0005

Molecular Formula

C20H19NO4 (C20 H19 NO4)

Compound Name

benzyl 9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-12-carboxylate

IUPAC name

n/a

SMILES

CC(CC1C2C(OCc3ccccc3)=O)(NC2=O)Oc2c1cccc2

InChI

InChI=1S/C20H19NO4/c1-20-11-15(14-9-5-6-10-16(14)25-20)17(18(22)21-20)19(23)24-12-13-7-3-2-4-8-13/h2-10,15,17H,11-12H2,1H3,(H,21,22)

InChI Key

YHYHVZQHVCYBSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04152873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.187

Distribution Coefficient, logD

3.187

Water Solubility, LogSw

-3.51

Polar Surface Area

53.383

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.00

6564-0005 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 6564-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6564-0005?
Check Price and Availability of 6564-0005, 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 6564-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6564-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6564-0005
  • 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 6564-0005 available by request