4582-0202 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)-3-phenylpropanamide

4582-0202 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)-3-phenylpropanamide
4582-0202 Screening compound: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4582-0202
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)-3-phenylpropanamide

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

4582-0202

Molecular Formula

C24H22ClF3N2O3 (C24 H22 ClF3 N2 O3)

Compound Name

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1,3-dioxo-octahydro-1H-isoindol-2-yl)-3-phenylpropanamide

IUPAC name

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(13-dioxo-octahydro-1H-isoindol-2-yl)-3-phenylpropanamide

SMILES

O=C(C(Cc1ccccc1)N(C(C1C2CCCC1)=O)C2=O)Nc(cc1)cc(C(F)(F)F)c1Cl

InChI

InChI=1S/C24H22ClF3N2O3/c25-19-11-10-15(13-18(19)24(26,27)28)29-21(31)20(12-14-6-2-1-3-7-14)30-22(32)16-8-4-5-9-17(16)23(30)33/h1-3,6-7,10-11,13,16-17,20H,4-5,8-9,12H2,(H,29,31)

InChI Key

PXUGJCJWSWLSBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.203

Distribution Coefficient, logD

4.964

Water Solubility, LogSw

-5.70

Polar Surface Area

51.700

Acid Dissociation Constant (pKa)

7.53

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

37.50

4582-0202 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4582-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4582-0202?
Check Price and Availability of 4582-0202, 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 4582-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4582-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4582-0202
  • 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 4582-0202 available by request