C561-0219 Screening compound: N-[(3-acetylphenyl)methyl]-4-(methylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

C561-0219 Screening compound: N-[(3-acetylphenyl)methyl]-4-(methylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide
C561-0219 Screening compound: N-[(3-acetylphenyl)methyl]-4-(methylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0219
N-[(3-acetylphenyl)methyl]-4-(methylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

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

C561-0219

Molecular Formula

C22H24N2O3S (C22 H24 N2 O3 S)

Compound Name

N-[(3-acetylphenyl)methyl]-4-(methylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

IUPAC name

(2S)-N-[(3-acetylphenyl)methyl]-4-(methylsulfanyl)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)butanamide

SMILES

CC(c1cccc(CNC(C(CCSC)N(Cc2c3cccc2)C3=O)=O)c1)=O

InChI

InChI=1S/C22H24N2O3S/c1-15(25)17-8-5-6-16(12-17)13-23-21(26)20(10-11-28-2)24-14-18-7-3-4-9-19(18)22(24)27/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,23,26)/t20-/m0/s1

InChI Key

FYCARGYKNFPVQX-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.308

Distribution Coefficient, logD

2.308

Water Solubility, LogSw

-3.07

Polar Surface Area

54.487

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

C561-0219 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Epigenetics Focused Set (26518 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 C561-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0219?
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What is the minimum amount of C561-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0219
  • 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 C561-0219 available by request