2054-0258 Screening compound: 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoic acid

2054-0258 Screening compound: 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoic acid
2054-0258 Screening compound: 2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2054-0258
2,6-bis(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)hexanoic acid

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

2054-0258

Molecular Formula

C24H26N2O6 (C24 H26 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H26N2O6/c27-20-16-11-4-5-12(9-11)17(16)21(28)25(20)8-2-1-3-15(24(31)32)26-22(29)18-13-6-7-14(10-13)19(18)23(26)30/h4-7,11-19H,1-3,8-10H2,(H,31,32)

InChI Key

QVQQYVHBVKGSMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01122787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.172

Distribution Coefficient, logD

-3.883

Water Solubility, LogSw

-0.48

Polar Surface Area

88.017

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

-6.69

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

62.50

2054-0258 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2054-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2054-0258?
Check Price and Availability of 2054-0258, 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 2054-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2054-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2054-0258
  • 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 2054-0258 available by request