4142-0957 Screening compound: 3-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-N-(4-methylphenyl)propanamide

4142-0957 Screening compound: 3-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-N-(4-methylphenyl)propanamide
4142-0957 Screening compound: 3-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-N-(4-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4142-0957
3-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-N-(4-methylphenyl)propanamide

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

4142-0957

Molecular Formula

C18H19ClN2O3 (C18 H19 ClN2 O3)

Compound Name

3-(5-chloro-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)-N-(4-methylphenyl)propanamide

IUPAC name

3-(5-chloro-13-dioxo-233a477a-hexahydro-1H-isoindol-2-yl)-N-(4-methylphenyl)propanamide

SMILES

Cc(cc1)ccc1NC(CCN(C(C1C2CC(Cl)=CC1)=O)C2=O)=O

InChI

InChI=1S/C18H19ClN2O3/c1-11-2-5-13(6-3-11)20-16(22)8-9-21-17(23)14-7-4-12(19)10-15(14)18(21)24/h2-6,14-15H,7-10H2,1H3,(H,20,22)

InChI Key

QIMLSIOZJDMQGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02227510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.641

Distribution Coefficient, logD

2.641

Water Solubility, LogSw

-3.57

Polar Surface Area

52.811

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.90

4142-0957 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4142-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4142-0957?
Check Price and Availability of 4142-0957, 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 4142-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4142-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4142-0957
  • 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 4142-0957 available by request