K040-0047 Screening compound: 4,5,6,7-tetrachloro-2-(2-methoxy-4-nitrophenyl)-2,3-dihydro-1H-isoindole-1,3-dione

K040-0047 Screening compound: 4,5,6,7-tetrachloro-2-(2-methoxy-4-nitrophenyl)-2,3-dihydro-1H-isoindole-1,3-dione
K040-0047 Screening compound: 4,5,6,7-tetrachloro-2-(2-methoxy-4-nitrophenyl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K040-0047
4,5,6,7-tetrachloro-2-(2-methoxy-4-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

K040-0047

Molecular Formula

C15H6Cl4N2O5 (C15 H6 Cl4 N2 O5)

Compound Name

4,5,6,7-tetrachloro-2-(2-methoxy-4-nitrophenyl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

4567-tetrachloro-2-(2-methoxy-4-nitrophenyl)-23-dihydro-1H-isoindole-13-dione

SMILES

COc(cc(cc1)[N+]([O-])=O)c1N(C(c(c1c(c(Cl)c2Cl)Cl)c2Cl)=O)C1=O

InChI

InChI=1S/C15H6Cl4N2O5/c1-26-7-4-5(21(24)25)2-3-6(7)20-14(22)8-9(15(20)23)11(17)13(19)12(18)10(8)16/h2-4H,1H3

InChI Key

JIIWVCSXZWRKBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01843363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.227

Distribution Coefficient, logD

4.227

Water Solubility, LogSw

-5.64

Polar Surface Area

69.591

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-12.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with K040-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K040-0047?
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What is the minimum amount of K040-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K040-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K040-0047
  • 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 K040-0047 available by request