5591-2192 Screening compound: 2-{[1-hydroxy-4-(4-methylbenzenesulfonamido)naphthalen-2-yl]sulfanyl}acetic acid

5591-2192 Screening compound: 2-{[1-hydroxy-4-(4-methylbenzenesulfonamido)naphthalen-2-yl]sulfanyl}acetic acid
5591-2192 Screening compound: 2-{[1-hydroxy-4-(4-methylbenzenesulfonamido)naphthalen-2-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2192
2-{[1-hydroxy-4-(4-methylbenzenesulfonamido)naphthalen-2-yl]sulfanyl}acetic acid

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

5591-2192

Molecular Formula

C19H17NO5S2 (C19 H17 NO5 S2)

Compound Name

2-{[1-hydroxy-4-(4-methylbenzenesulfonamido)naphthalen-2-yl]sulfanyl}acetic acid

IUPAC name

2-{[1-hydroxy-4-(4-methylbenzenesulfonamido)naphthalen-2-yl]sulfanyl}acetic acid

SMILES

Cc(cc1)ccc1S(Nc(c1ccccc11)cc(SCC(O)=O)c1O)(=O)=O

InChI

InChI=1S/C19H17NO5S2/c1-12-6-8-13(9-7-12)27(24,25)20-16-10-17(26-11-18(21)22)19(23)15-5-3-2-4-14(15)16/h2-10,20,23H,11H2,1H3,(H,21,22)

InChI Key

DPTYIVMAPDAPIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

0.100

Water Solubility, LogSw

-3.72

Polar Surface Area

83.782

Acid Dissociation Constant (pKa)

3.91

Base Dissociation Constant (pKb)

-8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

5591-2192 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5591-2192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2192?
Check Price and Availability of 5591-2192, 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 5591-2192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2192
  • 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 5591-2192 available by request