C614-0525 Screening compound: 3-[(3,4-dimethylphenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one

C614-0525 Screening compound: 3-[(3,4-dimethylphenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one
C614-0525 Screening compound: 3-[(3,4-dimethylphenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0525
3-[(3,4-dimethylphenyl)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

C614-0525

Molecular Formula

C22H21N3O (C22 H21 N3 O)

Compound Name

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

IUPAC name

3-[(34-dimethylphenyl)amino]-2-(4-methylpyridin-2-yl)-23-dihydro-1H-isoindol-1-one

SMILES

Cc1cc(N(C(c2c3cccc2)Nc2cc(C)c(C)cc2)C3=O)ncc1

InChI

InChI=1S/C22H21N3O/c1-14-10-11-23-20(12-14)25-21(18-6-4-5-7-19(18)22(25)26)24-17-9-8-15(2)16(3)13-17/h4-13,21,24H,1-3H3/t21-/m1/s1

InChI Key

KLKZDSJVWPDPIX-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14776195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.907

Distribution Coefficient, logD

4.907

Water Solubility, LogSw

-4.59

Polar Surface Area

32.902

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

C614-0525 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C614-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0525?
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What is the minimum amount of C614-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0525
  • 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 C614-0525 available by request