K783-0454 Screening compound: 3-(4-fluorophenyl)-3-(4-methylbenzenesulfonamido)propanoic acid

K783-0454 Screening compound: 3-(4-fluorophenyl)-3-(4-methylbenzenesulfonamido)propanoic acid
K783-0454 Screening compound: 3-(4-fluorophenyl)-3-(4-methylbenzenesulfonamido)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-0454
3-(4-fluorophenyl)-3-(4-methylbenzenesulfonamido)propanoic 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

K783-0454

Molecular Formula

C16H16FNO4S (C16 H16 FNO4 S)

Compound Name

3-(4-fluorophenyl)-3-(4-methylbenzenesulfonamido)propanoic acid

IUPAC name

3-(4-fluorophenyl)-3-(4-methylbenzenesulfonamido)propanoic acid

SMILES

Cc(cc1)ccc1S(NC(CC(O)=O)c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C16H16FNO4S/c1-11-2-8-14(9-3-11)23(21,22)18-15(10-16(19)20)12-4-6-13(17)7-5-12/h2-9,15,18H,10H2,1H3,(H,19,20)/t15-/m0/s1

InChI Key

WOPSXEFXWDHPLJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01366668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.37

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

3.056

Distribution Coefficient, logD

0.255

Water Solubility, LogSw

-3.36

Polar Surface Area

70.224

Acid Dissociation Constant (pKa)

4.60

Base Dissociation Constant (pKb)

-6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

K783-0454 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K783-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-0454?
Check Price and Availability of K783-0454, 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 K783-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-0454
  • 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 K783-0454 available by request