K040-0039 Screening compound: 2-(2-methyl-5-nitrophenyl)-2,3-dihydro-1H-isoindole-1,3-dione

K040-0039 Screening compound: 2-(2-methyl-5-nitrophenyl)-2,3-dihydro-1H-isoindole-1,3-dione
K040-0039 Screening compound: 2-(2-methyl-5-nitrophenyl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K040-0039
2-(2-methyl-5-nitrophenyl)-2,3-dihydro-1H-isoindole-1,3-dione

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

K040-0039

Molecular Formula

C15H10N2O4 (C15 H10 N2 O4)

Compound Name

2-(2-methyl-5-nitrophenyl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-(2-methyl-5-nitrophenyl)-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(ccc([N+]([O-])=O)c1)c1N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C15H10N2O4/c1-9-6-7-10(17(20)21)8-13(9)16-14(18)11-4-2-3-5-12(11)15(16)19/h2-8H,1H3

InChI Key

GFEUVENJTFIBRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00411785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.239

Distribution Coefficient, logD

3.239

Water Solubility, LogSw

-3.69

Polar Surface Area

61.960

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

K040-0039 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K040-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K040-0039?
Check Price and Availability of K040-0039, 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 K040-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K040-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K040-0039
  • 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 K040-0039 available by request