K788-9849 Screening compound: N-(2,3,4,5,6-pentafluorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide

K788-9849 Screening compound: N-(2,3,4,5,6-pentafluorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide
K788-9849 Screening compound: N-(2,3,4,5,6-pentafluorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9849
N-(2,3,4,5,6-pentafluorophenyl)-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

K788-9849

Molecular Formula

C16H13F5N2OS (C16 H13 F5 N2 OS)

Compound Name

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

IUPAC name

N-(23456-pentafluorophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide

SMILES

O=C(CCSCCc1ncccc1)Nc(c(F)c(c(F)c1F)F)c1F

InChI

InChI=1S/C16H13F5N2OS/c17-11-12(18)14(20)16(15(21)13(11)19)23-10(24)5-8-25-7-4-9-3-1-2-6-22-9/h1-3,6H,4-5,7-8H2,(H,23,24)

InChI Key

BZCQIAQWGOFEPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.35

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

3.236

Distribution Coefficient, logD

-0.769

Water Solubility, LogSw

-3.39

Polar Surface Area

31.264

Acid Dissociation Constant (pKa)

3.39

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K788-9849 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K788-9849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9849?
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What is the minimum amount of K788-9849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9849
  • 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 K788-9849 available by request