C561-3192 Screening compound: 3-(benzylsulfanyl)-N-[(4-chlorophenyl)methyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

C561-3192 Screening compound: 3-(benzylsulfanyl)-N-[(4-chlorophenyl)methyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
C561-3192 Screening compound: 3-(benzylsulfanyl)-N-[(4-chlorophenyl)methyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-3192
3-(benzylsulfanyl)-N-[(4-chlorophenyl)methyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)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

C561-3192

Molecular Formula

C25H23ClN2O2S (C25 H23 ClN2 O2 S)

Compound Name

3-(benzylsulfanyl)-N-[(4-chlorophenyl)methyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

IUPAC name

3-(benzylsulfanyl)-N-[(4-chlorophenyl)methyl]-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)propanamide

SMILES

O=C(C(CSCc1ccccc1)N(Cc1c2cccc1)C2=O)NCc(cc1)ccc1Cl

InChI

InChI=1S/C25H23ClN2O2S/c26-21-12-10-18(11-13-21)14-27-24(29)23(17-31-16-19-6-2-1-3-7-19)28-15-20-8-4-5-9-22(20)25(28)30/h1-13,23H,14-17H2,(H,27,29)/t23-/m0/s1

InChI Key

DRXSTACJWBBPJA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14771963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.610

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-5.05

Polar Surface Area

40.389

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C561-3192 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C561-3192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-3192?
Check Price and Availability of C561-3192, 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 C561-3192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-3192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-3192
  • 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 C561-3192 available by request