2054-0743 Screening compound: 2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanoate

2054-0743 Screening compound: 2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanoate
2054-0743 Screening compound: 2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2054-0743
2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanoate

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

2054-0743

Molecular Formula

C20H19NO5 (C20 H19 NO5)

Compound Name

2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanoate

IUPAC name

2-oxo-2-phenylethyl 2-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}propanoate

SMILES

CC(C(OCC(c1ccccc1)=O)=O)N(C(C1C2C3C=CC1C3)=O)C2=O

InChI

InChI=1S/C20H19NO5/c1-11(20(25)26-10-15(22)12-5-3-2-4-6-12)21-18(23)16-13-7-8-14(9-13)17(16)19(21)24/h2-8,11,13-14,16-17H,9-10H2,1H3

InChI Key

LAZYXNJHFDLVPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01156443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.232

Distribution Coefficient, logD

1.232

Water Solubility, LogSw

-1.76

Polar Surface Area

64.053

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

-8.43

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

40.00

2054-0743 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 2054-0743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2054-0743?
Check Price and Availability of 2054-0743, 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 2054-0743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2054-0743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2054-0743
  • 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 2054-0743 available by request