4483-0663 Screening compound: N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-N-(2-methoxyphenyl)hexanamide

4483-0663 Screening compound: N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-N-(2-methoxyphenyl)hexanamide
4483-0663 Screening compound: N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-N-(2-methoxyphenyl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-0663
N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-N-(2-methoxyphenyl)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

4483-0663

Molecular Formula

C22H24N2O4 (C22 H24 N2 O4)

Compound Name

N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-N-(2-methoxyphenyl)hexanamide

IUPAC name

N-[(13-dioxo-23-dihydro-1H-isoindol-2-yl)methyl]-N-(2-methoxyphenyl)hexanamide

SMILES

CCCCCC(N(CN(C(c1c2cccc1)=O)C2=O)c(cccc1)c1OC)=O

InChI

InChI=1S/C22H24N2O4/c1-3-4-5-14-20(25)23(18-12-8-9-13-19(18)28-2)15-24-21(26)16-10-6-7-11-17(16)22(24)27/h6-13H,3-5,14-15H2,1-2H3

InChI Key

XWHHFSIHLUFTEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01017568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.507

Distribution Coefficient, logD

4.507

Water Solubility, LogSw

-4.53

Polar Surface Area

53.610

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

4483-0663 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 4483-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-0663?
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What is the minimum amount of 4483-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-0663
  • 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 4483-0663 available by request