K780-0216 Screening compound: 4-[(4-bromophenyl)sulfanyl]-3-propanamidobenzoic acid

K780-0216 Screening compound: 4-[(4-bromophenyl)sulfanyl]-3-propanamidobenzoic acid
K780-0216 Screening compound: 4-[(4-bromophenyl)sulfanyl]-3-propanamidobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0216
4-[(4-bromophenyl)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

K780-0216

Molecular Formula

C16H14BrNO3S (C16 H14 BrNO3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(Nc(cc(cc1)C(O)=O)c1Sc(cc1)ccc1Br)=O

InChI

InChI=1S/C16H14BrNO3S/c1-2-15(19)18-13-9-10(16(20)21)3-8-14(13)22-12-6-4-11(17)5-7-12/h3-9H,2H2,1H3,(H,18,19)(H,20,21)

InChI Key

CZUBFWBLUOMVIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.26

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

4.811

Distribution Coefficient, logD

1.925

Water Solubility, LogSw

-4.34

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

12.50

K780-0216 in Drug Discovery

Included in Screening Libraries

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

Anti-Aging Library (44940 compounds)

Human GPCR Annotated Library (5539 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SH2 Library (10483 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Endocrine
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • PPI modulators
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with K780-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0216?
Check Price and Availability of K780-0216, 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 K780-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0216
  • 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 K780-0216 available by request