K040-0051 Screening compound: 2-(4-methoxy-2-nitrophenyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

K040-0051 Screening compound: 2-(4-methoxy-2-nitrophenyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione
K040-0051 Screening compound: 2-(4-methoxy-2-nitrophenyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K040-0051
2-(4-methoxy-2-nitrophenyl)-4-nitro-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

K040-0051

Molecular Formula

C15H9N3O7 (C15 H9 N3 O7)

Compound Name

2-(4-methoxy-2-nitrophenyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

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

SMILES

COc(cc1)cc([N+]([O-])=O)c1N(C(c1c2c([N+]([O-])=O)ccc1)=O)C2=O

InChI

InChI=1S/C15H9N3O7/c1-25-8-5-6-10(12(7-8)18(23)24)16-14(19)9-3-2-4-11(17(21)22)13(9)15(16)20/h2-7H,1H3

InChI Key

MVINBYIMKDXCBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00381944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.25

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.775

Distribution Coefficient, logD

1.775

Water Solubility, LogSw

-2.41

Polar Surface Area

102.284

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-12.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with K040-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K040-0051?
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What is the minimum amount of K040-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K040-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K040-0051
  • 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 K040-0051 available by request