C614-0551 Screening compound: 3-[(3-acetylphenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one

C614-0551 Screening compound: 3-[(3-acetylphenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one
C614-0551 Screening compound: 3-[(3-acetylphenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0551
3-[(3-acetylphenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one

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

C614-0551

Molecular Formula

C22H19N3O2 (C22 H19 N3 O2)

Compound Name

3-[(3-acetylphenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-[(3-acetylphenyl)amino]-2-(4-methylpyridin-2-yl)-23-dihydro-1H-isoindol-1-one

SMILES

CC(c1cccc(NC(c(cccc2)c2C2=O)N2c2nccc(C)c2)c1)=O

InChI

InChI=1S/C22H19N3O2/c1-14-10-11-23-20(12-14)25-21(18-8-3-4-9-19(18)22(25)27)24-17-7-5-6-16(13-17)15(2)26/h3-13,21,24H,1-2H3/t21-/m1/s1

InChI Key

ACGHGBLPBAOUMZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14776219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.661

Distribution Coefficient, logD

3.661

Water Solubility, LogSw

-3.91

Polar Surface Area

46.728

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C614-0551 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C614-0551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0551?
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What is the minimum amount of C614-0551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0551
  • 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 C614-0551 available by request