4483-1558 Screening compound: 2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)propanoate

4483-1558 Screening compound: 2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)propanoate
4483-1558 Screening compound: 2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-1558
2-oxo-2-phenylethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-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

4483-1558

Molecular Formula

C20H21NO5 (C20 H21 NO5)

Compound Name

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

IUPAC name

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

SMILES

CC(C(OCC(c1ccccc1)=O)=O)N(C(C1C2C3CC1CC3)=O)C2=O

InChI

InChI=1S/C20H21NO5/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/h2-6,11,13-14,16-17H,7-10H2,1H3

InChI Key

XYZJRDWLOIGRFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01156432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.39

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

1.269

Distribution Coefficient, logD

1.269

Water Solubility, LogSw

-1.85

Polar Surface Area

64.053

Acid Dissociation Constant (pKa)

19.28

Base Dissociation Constant (pKb)

-6.02

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

50.00

4483-1558 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4483-1558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-1558?
Check Price and Availability of 4483-1558, 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 4483-1558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-1558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-1558
  • 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 4483-1558 available by request