C614-0537 Screening compound: 3-[(4-methoxyphenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one

C614-0537 Screening compound: 3-[(4-methoxyphenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one
C614-0537 Screening compound: 3-[(4-methoxyphenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0537
3-[(4-methoxyphenyl)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

C614-0537

Molecular Formula

C21H19N3O2 (C21 H19 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(N(C(c2c3cccc2)Nc(cc2)ccc2OC)C3=O)ncc1

InChI

InChI=1S/C21H19N3O2/c1-14-11-12-22-19(13-14)24-20(17-5-3-4-6-18(17)21(24)25)23-15-7-9-16(26-2)10-8-15/h3-13,20,23H,1-2H3/t20-/m1/s1

InChI Key

RWQQLJGVYJTQIS-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14776205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.023

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-4.26

Polar Surface Area

40.446

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

C614-0537 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C614-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0537?
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What is the minimum amount of C614-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0537
  • 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 C614-0537 available by request