C561-0068 Screening compound: (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N~1~-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-phenylethanamide

C561-0068 Screening compound: (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N~1~-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-phenylethanamide
C561-0068 Screening compound: (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N~1~-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-phenylethanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-0068
(2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N~1~-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-phenylethanamide

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

C561-0068

Molecular Formula

C23H25N3O3 (C23 H25 N3 O3)

Compound Name

(2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N~1~-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-phenylethanamide

IUPAC name

n/a

SMILES

O=C([C@@H](c1ccccc1)N(Cc1c2cccc1)C2=O)NCCCN(CCC1)C1=O

InChI

InChI=1S/C23H25N3O3/c27-20-12-6-14-25(20)15-7-13-24-22(28)21(17-8-2-1-3-9-17)26-16-18-10-4-5-11-19(18)23(26)29/h1-5,8-11,21H,6-7,12-16H2,(H,24,28)/t21-/m1/s1

InChI Key

OJKOBPDTGAIONF-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.565

Distribution Coefficient, logD

1.565

Water Solubility, LogSw

-2.41

Polar Surface Area

57.779

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C561-0068 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 C561-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-0068?
Check Price and Availability of C561-0068, 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 C561-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-0068
  • 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 C561-0068 available by request