8006-6381 Screening compound: N-(5-chloropyridin-2-yl)-4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzene-1-sulfonamide

8006-6381 Screening compound: N-(5-chloropyridin-2-yl)-4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzene-1-sulfonamide
8006-6381 Screening compound: N-(5-chloropyridin-2-yl)-4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6381
N-(5-chloropyridin-2-yl)-4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzene-1-sulfonamide

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

8006-6381

Molecular Formula

C20H14ClN3O4S (C20 H14 ClN3 O4 S)

Compound Name

N-(5-chloropyridin-2-yl)-4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzene-1-sulfonamide

IUPAC name

N-(5-chloropyridin-2-yl)-4-[(13-dioxo-23-dihydro-1H-isoindol-2-yl)methyl]benzene-1-sulfonamide

SMILES

O=C(c1c2cccc1)N(Cc(cc1)ccc1S(Nc(cc1)ncc1Cl)(=O)=O)C2=O

InChI

InChI=1S/C20H14ClN3O4S/c21-14-7-10-18(22-11-14)23-29(27,28)15-8-5-13(6-9-15)12-24-19(25)16-3-1-2-4-17(16)20(24)26/h1-11H,12H2,(H,22,23)

InChI Key

WDMHNWVUIABLRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00754776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.577

Distribution Coefficient, logD

1.281

Water Solubility, LogSw

-3.99

Polar Surface Area

79.845

Acid Dissociation Constant (pKa)

5.11

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

8006-6381 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neuropeptide S Library (2850 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8006-6381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6381?
Check Price and Availability of 8006-6381, 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 8006-6381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6381
  • 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 8006-6381 available by request