C429-0486 Screening compound: 2-[(2-chlorophenyl)methyl]-3-[(5-chloropyridin-2-yl)amino]-2,3-dihydro-1H-isoindol-1-one

C429-0486 Screening compound: 2-[(2-chlorophenyl)methyl]-3-[(5-chloropyridin-2-yl)amino]-2,3-dihydro-1H-isoindol-1-one
C429-0486 Screening compound: 2-[(2-chlorophenyl)methyl]-3-[(5-chloropyridin-2-yl)amino]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0486
2-[(2-chlorophenyl)methyl]-3-[(5-chloropyridin-2-yl)amino]-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

C429-0486

Molecular Formula

C20H15Cl2N3O (C20 H15 Cl2 N3 O)

Compound Name

2-[(2-chlorophenyl)methyl]-3-[(5-chloropyridin-2-yl)amino]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-[(2-chlorophenyl)methyl]-3-[(5-chloropyridin-2-yl)amino]-23-dihydro-1H-isoindol-1-one

SMILES

O=C(c1c2cccc1)N(Cc(cccc1)c1Cl)C2Nc(cc1)ncc1Cl

InChI

InChI=1S/C20H15Cl2N3O/c21-14-9-10-18(23-11-14)24-19-15-6-2-3-7-16(15)20(26)25(19)12-13-5-1-4-8-17(13)22/h1-11,19H,12H2,(H,23,24)/t19-/m0/s1

InChI Key

NEMHURJLOJCKOJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14756167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.261

Distribution Coefficient, logD

5.261

Water Solubility, LogSw

-5.66

Polar Surface Area

34.706

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

C429-0486 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C429-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0486?
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What is the minimum amount of C429-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0486
  • 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 C429-0486 available by request