4782-0526 Screening compound: 2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione

4782-0526 Screening compound: 2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione
4782-0526 Screening compound: 2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4782-0526
2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione

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

4782-0526

Molecular Formula

C23H24N2O3 (C23 H24 N2 O3)

Compound Name

2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(C(Cc1ccccc1)N(C(c1c2cccc1)=O)C2=O)N1CCCCCC1

InChI

InChI=1S/C23H24N2O3/c26-21-18-12-6-7-13-19(18)22(27)25(21)20(16-17-10-4-3-5-11-17)23(28)24-14-8-1-2-9-15-24/h3-7,10-13,20H,1-2,8-9,14-16H2/t20-/m0/s1

InChI Key

HLHKMUHTUZHYES-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00838211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.322

Distribution Coefficient, logD

4.322

Water Solubility, LogSw

-4.41

Polar Surface Area

45.396

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

4782-0526 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4782-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4782-0526?
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What is the minimum amount of 4782-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4782-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4782-0526
  • 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 4782-0526 available by request