K788-9452 Screening compound: N-(2-bromo-4,6-difluorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide

K788-9452 Screening compound: N-(2-bromo-4,6-difluorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide
K788-9452 Screening compound: N-(2-bromo-4,6-difluorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9452
N-(2-bromo-4,6-difluorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide

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

K788-9452

Molecular Formula

C16H15BrF2N2OS (C16 H15 BrF2 N2 OS)

Compound Name

N-(2-bromo-4,6-difluorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide

IUPAC name

N-(2-bromo-46-difluorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide

SMILES

O=C(CCSCCc1ncccc1)Nc(c(F)cc(F)c1)c1Br

InChI

InChI=1S/C16H15BrF2N2OS/c17-13-9-11(18)10-14(19)16(13)21-15(22)5-8-23-7-4-12-3-1-2-6-20-12/h1-3,6,9-10H,4-5,7-8H2,(H,21,22)

InChI Key

SUAYVIHFXUSTLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.235

Distribution Coefficient, logD

3.149

Water Solubility, LogSw

-3.41

Polar Surface Area

31.264

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K788-9452 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Pool
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K788-9452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9452?
Check Price and Availability of K788-9452, 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 K788-9452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9452
  • 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 K788-9452 available by request