C561-0214 Screening compound: N-(3-chloro-4-methoxyphenyl)-4-(methylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

C561-0214 Screening compound: N-(3-chloro-4-methoxyphenyl)-4-(methylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide
C561-0214 Screening compound: N-(3-chloro-4-methoxyphenyl)-4-(methylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0214
N-(3-chloro-4-methoxyphenyl)-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

C561-0214

Molecular Formula

C20H21ClN2O3S (C20 H21 ClN2 O3 S)

Compound Name

N-(3-chloro-4-methoxyphenyl)-4-(methylsulfanyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

IUPAC name

(2S)-N-(3-chloro-4-methoxyphenyl)-4-(methylsulfanyl)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)butanamide

SMILES

COc(ccc(NC(C(CCSC)N(Cc1c2cccc1)C2=O)=O)c1)c1Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-26-18-8-7-14(11-16(18)21)22-19(24)17(9-10-27-2)23-12-13-5-3-4-6-15(13)20(23)25/h3-8,11,17H,9-10,12H2,1-2H3,(H,22,24)/t17-/m0/s1

InChI Key

IMTHRNUJRBAPTH-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

3.721

Water Solubility, LogSw

-4.12

Polar Surface Area

46.969

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C561-0214 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)

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 C561-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0214?
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What is the minimum amount of C561-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0214
  • 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 C561-0214 available by request