8006-4235 Screening compound: 2-[(E)-[(2,4,6-trimethylphenyl)methylidene]amino]-2,3-dihydro-1H-isoindole-1,3-dione

8006-4235 Screening compound: 2-[(E)-[(2,4,6-trimethylphenyl)methylidene]amino]-2,3-dihydro-1H-isoindole-1,3-dione
8006-4235 Screening compound: 2-[(E)-[(2,4,6-trimethylphenyl)methylidene]amino]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4235
2-[(E)-[(2,4,6-trimethylphenyl)methylidene]amino]-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

8006-4235

Molecular Formula

C18H16N2O2 (C18 H16 N2 O2)

Compound Name

2-[(E)-[(2,4,6-trimethylphenyl)methylidene]amino]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[(E)-[(246-trimethylphenyl)methylidene]amino]-23-dihydro-1H-isoindole-13-dione

SMILES

Cc1cc(C)c(/C=N/N(C(c2c3cccc2)=O)C3=O)c(C)c1

InChI

InChI=1S/C18H16N2O2/c1-11-8-12(2)16(13(3)9-11)10-19-20-17(21)14-6-4-5-7-15(14)18(20)22/h4-10H,1-3H3

InChI Key

KMMRTFCKSXRZJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00556284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.174

Distribution Coefficient, logD

4.174

Water Solubility, LogSw

-4.32

Polar Surface Area

39.907

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8006-4235 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-4235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4235?
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What is the minimum amount of 8006-4235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4235
  • 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 8006-4235 available by request