0590-0352 Screening compound: N-(4-chlorophenyl)-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]benzamide

0590-0352 Screening compound: N-(4-chlorophenyl)-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]benzamide
0590-0352 Screening compound: N-(4-chlorophenyl)-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0590-0352
N-(4-chlorophenyl)-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]benzamide

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

0590-0352

Molecular Formula

C25H21ClN2O3 (C25 H21 ClN2 O3)

Compound Name

N-(4-chlorophenyl)-N-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl]benzamide

IUPAC name

N-(4-chlorophenyl)-N-[4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)butyl]benzamide

SMILES

O=C(c1ccccc1)N(CCCCN(C(c1c2cccc1)=O)C2=O)c(cc1)ccc1Cl

InChI

InChI=1S/C25H21ClN2O3/c26-19-12-14-20(15-13-19)27(23(29)18-8-2-1-3-9-18)16-6-7-17-28-24(30)21-10-4-5-11-22(21)25(28)31/h1-5,8-15H,6-7,16-17H2

InChI Key

JKRTYPAFFFABNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.726

Distribution Coefficient, logD

4.726

Water Solubility, LogSw

-5.00

Polar Surface Area

45.071

Acid Dissociation Constant (pKa)

27.21

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

0590-0352 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0590-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0590-0352?
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What is the minimum amount of 0590-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0590-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0590-0352
  • 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 0590-0352 available by request