3336-3663 Screening compound: 3-(4-methylbenzenesulfonamido)-3-phenylpropanoic acid

3336-3663 Screening compound: 3-(4-methylbenzenesulfonamido)-3-phenylpropanoic acid
3336-3663 Screening compound: 3-(4-methylbenzenesulfonamido)-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3336-3663
3-(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

3336-3663

Molecular Formula

C16H17NO4S (C16 H17 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(NC(CC(O)=O)c1ccccc1)(=O)=O

InChI

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

InChI Key

YQJUVIVIOYVSRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00508889

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

3.032

Distribution Coefficient, logD

0.231

Water Solubility, LogSw

-3.30

Polar Surface Area

70.224

Acid Dissociation Constant (pKa)

4.60

Base Dissociation Constant (pKb)

-6.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

3336-3663 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

Integrin Receptors Targeted library (1715 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Structure:
  • Pool
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 3336-3663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3336-3663?
Check Price and Availability of 3336-3663, 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 3336-3663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3336-3663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3336-3663
  • 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 3336-3663 available by request