8012-0284 Screening compound: 5,6-dimethyl-2-(2-nitrophenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

8012-0284 Screening compound: 5,6-dimethyl-2-(2-nitrophenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
8012-0284 Screening compound: 5,6-dimethyl-2-(2-nitrophenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0284
5,6-dimethyl-2-(2-nitrophenyl)-2,3,3a,4,7,7a-hexahydro-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

8012-0284

Molecular Formula

C16H16N2O4 (C16 H16 N2 O4)

Compound Name

5,6-dimethyl-2-(2-nitrophenyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

IUPAC name

56-dimethyl-2-(2-nitrophenyl)-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

CC(CC1C(N2c(cccc3)c3[N+]([O-])=O)=O)=C(C)CC1C2=O

InChI

InChI=1S/C16H16N2O4/c1-9-7-11-12(8-10(9)2)16(20)17(15(11)19)13-5-3-4-6-14(13)18(21)22/h3-6,11-12H,7-8H2,1-2H3

InChI Key

IFJWSFZAKJMGQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02149583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.31

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

2.188

Distribution Coefficient, logD

2.188

Water Solubility, LogSw

-2.80

Polar Surface Area

61.852

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

-11.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

8012-0284 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-0284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0284?
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What is the minimum amount of 8012-0284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0284
  • 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 8012-0284 available by request