5591-1994 Screening compound: 5-(2,5-dimethylbenzenesulfonamido)-2-hydroxybenzoic acid

5591-1994 Screening compound: 5-(2,5-dimethylbenzenesulfonamido)-2-hydroxybenzoic acid
5591-1994 Screening compound: 5-(2,5-dimethylbenzenesulfonamido)-2-hydroxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-1994
5-(2,5-dimethylbenzenesulfonamido)-2-hydroxybenzoic 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

5591-1994

Molecular Formula

C15H15NO5S (C15 H15 NO5 S)

Compound Name

5-(2,5-dimethylbenzenesulfonamido)-2-hydroxybenzoic acid

IUPAC name

5-(25-dimethylbenzenesulfonamido)-2-hydroxybenzoic acid

SMILES

Cc1cc(S(Nc(cc2)cc(C(O)=O)c2O)(=O)=O)c(C)cc1

InChI

InChI=1S/C15H15NO5S/c1-9-3-4-10(2)14(7-9)22(20,21)16-11-5-6-13(17)12(8-11)15(18)19/h3-8,16-17H,1-2H3,(H,18,19)

InChI Key

OXHBGWNGARQYRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

0.650

Water Solubility, LogSw

-3.59

Polar Surface Area

85.844

Acid Dissociation Constant (pKa)

4.02

Base Dissociation Constant (pKb)

-10.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

5591-1994 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Endocrine
  • Digestive system
  • Nervous system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with 5591-1994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-1994?
Check Price and Availability of 5591-1994, 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 5591-1994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-1994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-1994
  • 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 5591-1994 available by request