4142-0922 Screening compound: 5-chloro-2-(3-piperidinopropyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

4142-0922 Screening compound: 5-chloro-2-(3-piperidinopropyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
4142-0922 Screening compound: 5-chloro-2-(3-piperidinopropyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4142-0922
5-chloro-2-(3-piperidinopropyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-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

4142-0922

Molecular Formula

C16H23ClN2O2 (C16 H23 ClN2 O2)

Compound Name

5-chloro-2-(3-piperidinopropyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

IUPAC name

5-chloro-2-[3-(piperidin-1-yl)propyl]-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

O=C(C1C2CC(Cl)=CC1)N(CCCN1CCCCC1)C2=O

InChI

InChI=1S/C16H23ClN2O2/c17-12-5-6-13-14(11-12)16(21)19(15(13)20)10-4-9-18-7-2-1-3-8-18/h5,13-14H,1-4,6-11H2

InChI Key

MCJUKPTXPPKVLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02227492

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

310.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

-0.652

Water Solubility, LogSw

-2.79

Polar Surface Area

33.644

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

10.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

75.00

4142-0922 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4142-0922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4142-0922?
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What is the minimum amount of 4142-0922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4142-0922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4142-0922
  • 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 4142-0922 available by request