3795-0414 Screening compound: 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-methylphenyl)hexanamide

3795-0414 Screening compound: 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-methylphenyl)hexanamide
3795-0414 Screening compound: 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-methylphenyl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3795-0414
2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-methylphenyl)hexanamide

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

3795-0414

Molecular Formula

C21H20Cl2N2O3 (C21 H20 Cl2 N2 O3)

Compound Name

2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-methylphenyl)hexanamide

IUPAC name

2-(56-dichloro-13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-(4-methylphenyl)hexanamide

SMILES

CCCCC(C(Nc1ccc(C)cc1)=O)N(C(c(c1c2)cc(Cl)c2Cl)=O)C1=O

InChI

InChI=1S/C21H20Cl2N2O3/c1-3-4-5-18(19(26)24-13-8-6-12(2)7-9-13)25-20(27)14-10-16(22)17(23)11-15(14)21(25)28/h6-11,18H,3-5H2,1-2H3,(H,24,26)/t18-/m0/s1

InChI Key

PQRGIRJBCLOZPU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02914518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.457

Distribution Coefficient, logD

6.457

Water Solubility, LogSw

-6.31

Polar Surface Area

51.779

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 3795-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3795-0414?
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What is the minimum amount of 3795-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3795-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3795-0414
  • 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 3795-0414 available by request