C429-0491 Screening compound: 2-[(2-chlorophenyl)methyl]-3-{[4-(piperidine-1-sulfonyl)phenyl]amino}-2,3-dihydro-1H-isoindol-1-one

C429-0491 Screening compound: 2-[(2-chlorophenyl)methyl]-3-{[4-(piperidine-1-sulfonyl)phenyl]amino}-2,3-dihydro-1H-isoindol-1-one
C429-0491 Screening compound: 2-[(2-chlorophenyl)methyl]-3-{[4-(piperidine-1-sulfonyl)phenyl]amino}-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0491
2-[(2-chlorophenyl)methyl]-3-{[4-(piperidine-1-sulfonyl)phenyl]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

C429-0491

Molecular Formula

C26H26ClN3O3S (C26 H26 ClN3 O3 S)

Compound Name

2-[(2-chlorophenyl)methyl]-3-{[4-(piperidine-1-sulfonyl)phenyl]amino}-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-[(2-chlorophenyl)methyl]-3-{[4-(piperidine-1-sulfonyl)phenyl]amino}-23-dihydro-1H-isoindol-1-one

SMILES

O=C(c1c2cccc1)N(Cc(cccc1)c1Cl)C2Nc(cc1)ccc1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C26H26ClN3O3S/c27-24-11-5-2-8-19(24)18-30-25(22-9-3-4-10-23(22)26(30)31)28-20-12-14-21(15-13-20)34(32,33)29-16-6-1-7-17-29/h2-5,8-15,25,28H,1,6-7,16-18H2/t25-/m0/s1

InChI Key

MZPJHBAZGMOLLI-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14756171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.147

Distribution Coefficient, logD

5.147

Water Solubility, LogSw

-5.39

Polar Surface Area

56.713

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

C429-0491 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C429-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0491?
Check Price and Availability of C429-0491, 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 C429-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0491
  • 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 C429-0491 available by request