K026-0217 Screening compound: 2-(6,8-di-tert-butyl-2-oxo-2H-chromen-3-yl)-1H-1,3-benzodiazole-6-carboxylic acid

K026-0217 Screening compound: 2-(6,8-di-tert-butyl-2-oxo-2H-chromen-3-yl)-1H-1,3-benzodiazole-6-carboxylic acid
K026-0217 Screening compound: 2-(6,8-di-tert-butyl-2-oxo-2H-chromen-3-yl)-1H-1,3-benzodiazole-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K026-0217
2-(6,8-di-tert-butyl-2-oxo-2H-chromen-3-yl)-1H-1,3-benzodiazole-6-carboxylic 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

K026-0217

Molecular Formula

C25H26N2O4 (C25 H26 N2 O4)

Compound Name

2-(6,8-di-tert-butyl-2-oxo-2H-chromen-3-yl)-1H-1,3-benzodiazole-6-carboxylic acid

IUPAC name

2-(68-di-tert-butyl-2-oxo-2H-chromen-3-yl)-1H-13-benzodiazole-6-carboxylic acid

SMILES

CC(C)(C)c(cc1C(C)(C)C)cc(C=C2c3nc(ccc(C(O)=O)c4)c4[nH]3)c1OC2=O

InChI

InChI=1S/C25H26N2O4/c1-24(2,3)15-9-14-10-16(23(30)31-20(14)17(12-15)25(4,5)6)21-26-18-8-7-13(22(28)29)11-19(18)27-21/h7-12H,1-6H3,(H,26,27)(H,28,29)

InChI Key

XGLBVLDNUWALFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.705

Distribution Coefficient, logD

4.392

Water Solubility, LogSw

-5.58

Polar Surface Area

68.272

Acid Dissociation Constant (pKa)

5.09

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

K026-0217 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K026-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K026-0217?
Check Price and Availability of K026-0217, 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 K026-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K026-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K026-0217
  • 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 K026-0217 available by request