2054-0246 Screening compound: methyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-methylbutanoate

2054-0246 Screening compound: methyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-methylbutanoate
2054-0246 Screening compound: methyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2054-0246
methyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-methylbutanoate

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

2054-0246

Molecular Formula

C15H19NO4 (C15 H19 NO4)

Compound Name

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

IUPAC name

n/a

SMILES

CC(C)C(C(OC)=O)N(C(C1C2C3C=CC1C3)=O)C2=O

InChI

InChI=1S/C15H19NO4/c1-7(2)12(15(19)20-3)16-13(17)10-8-4-5-9(6-8)11(10)14(16)18/h4-5,7-12H,6H2,1-3H3

InChI Key

OPRFJHWXEZHHLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01122775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.274

Distribution Coefficient, logD

1.274

Water Solubility, LogSw

-1.29

Polar Surface Area

50.743

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

-8.20

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

66.67

2054-0246 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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 2054-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2054-0246?
Check Price and Availability of 2054-0246, 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 2054-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2054-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2054-0246
  • 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 2054-0246 available by request