K788-9873 Screening compound: N-(2,3,4,5,6-pentafluorophenyl)-2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamide

K788-9873 Screening compound: N-(2,3,4,5,6-pentafluorophenyl)-2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamide
K788-9873 Screening compound: N-(2,3,4,5,6-pentafluorophenyl)-2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9873
N-(2,3,4,5,6-pentafluorophenyl)-2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamide

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

K788-9873

Molecular Formula

C15H11F5N2OS (C15 H11 F5 N2 OS)

Compound Name

N-(2,3,4,5,6-pentafluorophenyl)-2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamide

IUPAC name

N-(23456-pentafluorophenyl)-2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamide

SMILES

O=C(CSCCc1ncccc1)Nc(c(F)c(c(F)c1F)F)c1F

InChI

InChI=1S/C15H11F5N2OS/c16-10-11(17)13(19)15(14(20)12(10)18)22-9(23)7-24-6-4-8-3-1-2-5-21-8/h1-3,5H,4,6-7H2,(H,22,23)

InChI Key

WOUBNULPGJZOJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

-1.463

Water Solubility, LogSw

-3.57

Polar Surface Area

31.264

Acid Dissociation Constant (pKa)

2.63

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K788-9873 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-9873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9873?
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What is the minimum amount of K788-9873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9873
  • 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 K788-9873 available by request