K783-4990 Screening compound: 4-[(4-methylphenyl)sulfanyl]-3-propanamidobenzoic acid

K783-4990 Screening compound: 4-[(4-methylphenyl)sulfanyl]-3-propanamidobenzoic acid
K783-4990 Screening compound: 4-[(4-methylphenyl)sulfanyl]-3-propanamidobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-4990
4-[(4-methylphenyl)sulfanyl]-3-propanamidobenzoic 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

K783-4990

Molecular Formula

C17H17NO3S (C17 H17 NO3 S)

Compound Name

4-[(4-methylphenyl)sulfanyl]-3-propanamidobenzoic acid

IUPAC name

4-[(4-methylphenyl)sulfanyl]-3-propanamidobenzoic acid

SMILES

CCC(Nc(cc(cc1)C(O)=O)c1Sc1ccc(C)cc1)=O

InChI

InChI=1S/C17H17NO3S/c1-3-16(19)18-14-10-12(17(20)21)6-9-15(14)22-13-7-4-11(2)5-8-13/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)

InChI Key

ZWPZWMHTQYUQAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.401

Distribution Coefficient, logD

1.515

Water Solubility, LogSw

-4.09

Polar Surface Area

50.827

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

K783-4990 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 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
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with K783-4990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-4990?
Check Price and Availability of K783-4990, 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 K783-4990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-4990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-4990
  • 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 K783-4990 available by request