2054-0259 Screening compound: methyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoate

2054-0259 Screening compound: methyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoate
2054-0259 Screening compound: methyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2054-0259
methyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoate

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

2054-0259

Molecular Formula

C25H28N2O6 (C25 H28 N2 O6)

Compound Name

methyl 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoate

IUPAC name

methyl 26-bis({35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl})hexanoate

SMILES

COC(C(CCCCN(C(C1C2C3C=CC1C3)=O)C2=O)N(C(C1C2C3C=CC1C3)=O)C2=O)=O

InChI

InChI=1S/C25H28N2O6/c1-33-25(32)16(27-23(30)19-14-7-8-15(11-14)20(19)24(27)31)4-2-3-9-26-21(28)17-12-5-6-13(10-12)18(17)22(26)29/h5-8,12-20H,2-4,9-11H2,1H3

InChI Key

UHMDDADXRUDLBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01122788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.013

Distribution Coefficient, logD

1.013

Water Solubility, LogSw

-1.02

Polar Surface Area

80.783

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

-6.69

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

64.00

2054-0259 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2054-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2054-0259?
Check Price and Availability of 2054-0259, 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 2054-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2054-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2054-0259
  • 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 2054-0259 available by request