4644-0560 Screening compound: 5-chloro-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

4644-0560 Screening compound: 5-chloro-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
4644-0560 Screening compound: 5-chloro-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4644-0560
5-chloro-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-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

4644-0560

Molecular Formula

C14H17ClN2O3 (C14 H17 ClN2 O3)

Compound Name

5-chloro-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

IUPAC name

5-chloro-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

O=C(CN(C(C1C2CC(Cl)=CC1)=O)C2=O)N1CCCC1

InChI

InChI=1S/C14H17ClN2O3/c15-9-3-4-10-11(7-9)14(20)17(13(10)19)8-12(18)16-5-1-2-6-16/h3,10-11H,1-2,4-8H2

InChI Key

WVQVLCMGQLBOOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00698160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.888

Distribution Coefficient, logD

0.888

Water Solubility, LogSw

-2.19

Polar Surface Area

46.442

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.29

4644-0560 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4644-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4644-0560?
Check Price and Availability of 4644-0560, 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 4644-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4644-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4644-0560
  • 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 4644-0560 available by request