0627-0082 Screening compound: N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-N-(4-methylphenyl)acetamide

0627-0082 Screening compound: N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-N-(4-methylphenyl)acetamide
0627-0082 Screening compound: N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0627-0082
N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-N-(4-methylphenyl)acetamide

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

0627-0082

Molecular Formula

C18H16N2O3 (C18 H16 N2 O3)

Compound Name

N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-N-(4-methylphenyl)acetamide

IUPAC name

N-[(13-dioxo-23-dihydro-1H-isoindol-2-yl)methyl]-N-(4-methylphenyl)acetamide

SMILES

CC(N(CN(C(c1c2cccc1)=O)C2=O)c1ccc(C)cc1)=O

InChI

InChI=1S/C18H16N2O3/c1-12-7-9-14(10-8-12)19(13(2)21)11-20-17(22)15-5-3-4-6-16(15)18(20)23/h3-10H,11H2,1-2H3

InChI Key

MVCSYOGBCOWARO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00223547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.879

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-3.35

Polar Surface Area

47.275

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

0627-0082 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0627-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0627-0082?
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What is the minimum amount of 0627-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0627-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0627-0082
  • 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 0627-0082 available by request