3795-0095 Screening compound: 2-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione

3795-0095 Screening compound: 2-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione
3795-0095 Screening compound: 2-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3795-0095
2-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-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

3795-0095

Molecular Formula

C22H22N2O3 (C22 H22 N2 O3)

Compound Name

2-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[1-oxo-3-phenyl-1-(piperidin-1-yl)propan-2-yl]-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(C(Cc1ccccc1)N(C(c1c2cccc1)=O)C2=O)N1CCCCC1

InChI

InChI=1S/C22H22N2O3/c25-20-17-11-5-6-12-18(17)21(26)24(20)19(15-16-9-3-1-4-10-16)22(27)23-13-7-2-8-14-23/h1,3-6,9-12,19H,2,7-8,13-15H2/t19-/m0/s1

InChI Key

NUJZCVFNMNJUHO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00226081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

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

3.826

Distribution Coefficient, logD

3.826

Water Solubility, LogSw

-4.09

Polar Surface Area

45.065

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

3795-0095 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3795-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3795-0095?
Check Price and Availability of 3795-0095, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3795-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3795-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3795-0095
  • 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 3795-0095 available by request