1473-0531 Screening compound: N-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide

1473-0531 Screening compound: N-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide
1473-0531 Screening compound: N-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1473-0531
N-[(1,3-dioxo-octahydro-1H-isoindol-2-yl)methyl]-N-(2-methoxyphenyl)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

1473-0531

Molecular Formula

C18H22N2O4 (C18 H22 N2 O4)

Compound Name

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

IUPAC name

N-[(13-dioxo-octahydro-1H-isoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide

SMILES

CC(N(CN(C(C1C2CCCC1)=O)C2=O)c(cccc1)c1OC)=O

InChI

InChI=1S/C18H22N2O4/c1-12(21)19(15-9-5-6-10-16(15)24-2)11-20-17(22)13-7-3-4-8-14(13)18(20)23/h5-6,9-10,13-14H,3-4,7-8,11H2,1-2H3

InChI Key

XJDQHOKVDCOGAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00761487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.866

Distribution Coefficient, logD

1.866

Water Solubility, LogSw

-2.65

Polar Surface Area

54.797

Acid Dissociation Constant (pKa)

19.09

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

1473-0531 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 1473-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1473-0531?
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What is the minimum amount of 1473-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1473-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1473-0531
  • 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 1473-0531 available by request