R361-0119 Screening compound: 2-(4-methylbenzenesulfonamido)-3-phenylpropanoic acid

R361-0119 Screening compound: 2-(4-methylbenzenesulfonamido)-3-phenylpropanoic acid
R361-0119 Screening compound: 2-(4-methylbenzenesulfonamido)-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R361-0119
2-(4-methylbenzenesulfonamido)-3-phenylpropanoic 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

R361-0119

Molecular Formula

C16H17NO4S (C16 H17 NO4 S)

Compound Name

2-(4-methylbenzenesulfonamido)-3-phenylpropanoic acid

IUPAC name

2-(4-methylbenzenesulfonamido)-3-phenylpropanoic acid

SMILES

Cc(cc1)ccc1S(NC(Cc1ccccc1)C(O)=O)(=O)=O

InChI

InChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(20,21)17-15(16(18)19)11-13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3,(H,18,19)/t15-/m0/s1

InChI Key

CGRCVIZBNRUWLY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00063148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.184

Distribution Coefficient, logD

-1.552

Water Solubility, LogSw

-2.74

Polar Surface Area

70.249

Acid Dissociation Constant (pKa)

3.66

Base Dissociation Constant (pKb)

-7.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

R361-0119 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

Integrin Receptors Targeted library (1715 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

SH2 PTB Focused Library (6188 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
  • Others
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with R361-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R361-0119?
Check Price and Availability of R361-0119, 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 R361-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R361-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R361-0119
  • 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 R361-0119 available by request