6067-2870 Screening compound: 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

6067-2870 Screening compound: 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
6067-2870 Screening compound: 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6067-2870
2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-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

6067-2870

Molecular Formula

C13H13NO4 (C13 H13 NO4)

Compound Name

2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

IUPAC name

n/a

SMILES

CC(C)(C)N(C(c(cc1)c2cc1C(O)=O)=O)C2=O

InChI

InChI=1S/C13H13NO4/c1-13(2,3)14-10(15)8-5-4-7(12(17)18)6-9(8)11(14)16/h4-6H,1-3H3,(H,17,18)

InChI Key

XBMWXWYNYYVTMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01005664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.369

Distribution Coefficient, logD

-1.609

Water Solubility, LogSw

-2.53

Polar Surface Area

58.255

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

6067-2870 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with 6067-2870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6067-2870?
Check Price and Availability of 6067-2870, 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 6067-2870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6067-2870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6067-2870
  • 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 6067-2870 available by request