C561-0153 Screening compound: 3-(benzylsulfanyl)-N-(4-methylphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

C561-0153 Screening compound: 3-(benzylsulfanyl)-N-(4-methylphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
C561-0153 Screening compound: 3-(benzylsulfanyl)-N-(4-methylphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0153
3-(benzylsulfanyl)-N-(4-methylphenyl)-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

C561-0153

Molecular Formula

C25H24N2O2S (C25 H24 N2 O2 S)

Compound Name

3-(benzylsulfanyl)-N-(4-methylphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

IUPAC name

(2R)-3-(benzylsulfanyl)-N-(4-methylphenyl)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)propanamide

SMILES

Cc(cc1)ccc1NC(C(CSCc1ccccc1)N(Cc1c2cccc1)C2=O)=O

InChI

InChI=1S/C25H24N2O2S/c1-18-11-13-21(14-12-18)26-24(28)23(17-30-16-19-7-3-2-4-8-19)27-15-20-9-5-6-10-22(20)25(27)29/h2-14,23H,15-17H2,1H3,(H,26,28)/t23-/m0/s1

InChI Key

NVHSLAMXAXVHLG-QHCPKHFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.838

Distribution Coefficient, logD

4.838

Water Solubility, LogSw

-4.59

Polar Surface Area

39.067

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C561-0153 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C561-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0153?
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What is the minimum amount of C561-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0153
  • 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 C561-0153 available by request