K780-0366 Screening compound: 3-butanamido-4-(phenylsulfanyl)benzoic acid

K780-0366 Screening compound: 3-butanamido-4-(phenylsulfanyl)benzoic acid
K780-0366 Screening compound: 3-butanamido-4-(phenylsulfanyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0366
3-butanamido-4-(phenylsulfanyl)benzoic 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

K780-0366

Molecular Formula

C17H17NO3S (C17 H17 NO3 S)

Compound Name

3-butanamido-4-(phenylsulfanyl)benzoic acid

IUPAC name

3-butanamido-4-(phenylsulfanyl)benzoic acid

SMILES

CCCC(Nc(cc(cc1)C(O)=O)c1Sc1ccccc1)=O

InChI

InChI=1S/C17H17NO3S/c1-2-6-16(19)18-14-11-12(17(20)21)9-10-15(14)22-13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3,(H,18,19)(H,20,21)

InChI Key

BKSWQWGBTDAGGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093721

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

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.270

Distribution Coefficient, logD

1.384

Water Solubility, LogSw

-4.13

Polar Surface Area

50.827

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

K780-0366 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K780-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0366?
Check Price and Availability of K780-0366, 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 K780-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0366
  • 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 K780-0366 available by request