C429-0492 Screening compound: 3-{[4-(azepane-1-sulfonyl)phenyl]amino}-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-isoindol-1-one

C429-0492 Screening compound: 3-{[4-(azepane-1-sulfonyl)phenyl]amino}-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-isoindol-1-one
C429-0492 Screening compound: 3-{[4-(azepane-1-sulfonyl)phenyl]amino}-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0492
3-{[4-(azepane-1-sulfonyl)phenyl]amino}-2-[(2-chlorophenyl)methyl]-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

C429-0492

Molecular Formula

C27H28ClN3O3S (C27 H28 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c2cccc1)N(Cc(cccc1)c1Cl)C2Nc(cc1)ccc1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C27H28ClN3O3S/c28-25-12-6-3-9-20(25)19-31-26(23-10-4-5-11-24(23)27(31)32)29-21-13-15-22(16-14-21)35(33,34)30-17-7-1-2-8-18-30/h3-6,9-16,26,29H,1-2,7-8,17-19H2/t26-/m0/s1

InChI Key

FQANHKSELJZNCP-SANMLTNESA-N

MDL Number (MFCD)

MFCD14756172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.06

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

5.643

Distribution Coefficient, logD

5.643

Water Solubility, LogSw

-5.89

Polar Surface Area

57.044

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

C429-0492 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with C429-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0492?
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What is the minimum amount of C429-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0492
  • 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 C429-0492 available by request