5591-3082 Screening compound: N6-(2

5591-3082 Screening compound: N6-(2
5591-3082 Screening compound: N6-(2 alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3082
N6-(2

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

5591-3082

Molecular Formula

C19H16N2O3S (C19 H16 N2 O3 S)

Compound Name

N6-(2

IUPAC name

n/a

SMILES

Cc1cccc(NS(c(c2cccc3c22)ccc2NC3=O)(=O)=O)c1C

InChI

InChI=1S/C19H16N2O3S/c1-11-5-3-8-15(12(11)2)21-25(23,24)17-10-9-16-18-13(17)6-4-7-14(18)19(22)20-16/h3-10,21H,1-2H3,(H,20,22)

InChI Key

PBUAKUZPNYHRJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.967

Distribution Coefficient, logD

3.920

Water Solubility, LogSw

-4.48

Polar Surface Area

65.162

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

5591-3082 in Drug Discovery

Included in Screening Libraries

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5591-3082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3082?
Check Price and Availability of 5591-3082, 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 5591-3082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3082
  • 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 5591-3082 available by request