5830-0582 Screening compound: (1Z)-N1-(3,4-dimethylphenyl)-2,3-dihydro-1H-isoindole-1,3-diimine

5830-0582 Screening compound: (1Z)-N1-(3,4-dimethylphenyl)-2,3-dihydro-1H-isoindole-1,3-diimine
5830-0582 Screening compound: (1Z)-N1-(3,4-dimethylphenyl)-2,3-dihydro-1H-isoindole-1,3-diimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5830-0582
(1Z)-N1-(3,4-dimethylphenyl)-2,3-dihydro-1H-isoindole-1,3-diimine

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

5830-0582

Molecular Formula

C16H15N3 (C16 H15 N3)

Compound Name

(1Z)-N1-(3,4-dimethylphenyl)-2,3-dihydro-1H-isoindole-1,3-diimine

IUPAC name

(1Z)-N1-(34-dimethylphenyl)-23-dihydro-1H-isoindole-13-diimine

SMILES

Cc(cc1)c(C)cc1/N=C(/c1c2cccc1)\NC2=N

InChI

InChI=1S/C16H15N3/c1-10-7-8-12(9-11(10)2)18-16-14-6-4-3-5-13(14)15(17)19-16/h3-9H,1-2H3,(H2,17,18,19)

InChI Key

JXKGRWTUSHVHIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03268213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.549

Distribution Coefficient, logD

0.749

Water Solubility, LogSw

-3.74

Polar Surface Area

37.083

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

10.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 5830-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5830-0582?
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What is the minimum amount of 5830-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5830-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5830-0582
  • 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 5830-0582 available by request