K786-6769 Screening compound: 3-{[(2-fluorophenyl)methyl]sulfanyl}-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

K786-6769 Screening compound: 3-{[(2-fluorophenyl)methyl]sulfanyl}-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one
K786-6769 Screening compound: 3-{[(2-fluorophenyl)methyl]sulfanyl}-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-6769
3-{[(2-fluorophenyl)methyl]sulfanyl}-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

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

K786-6769

Molecular Formula

C19H22FN3OS (C19 H22 FN3 OS)

Compound Name

3-{[(2-fluorophenyl)methyl]sulfanyl}-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

IUPAC name

3-{[(2-fluorophenyl)methyl]sulfanyl}-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

SMILES

O=C(CCSCc(cccc1)c1F)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C19H22FN3OS/c20-17-6-2-1-5-16(17)15-25-14-8-19(24)23-12-10-22(11-13-23)18-7-3-4-9-21-18/h1-7,9H,8,10-15H2

InChI Key

GDZYTZBVQCBFTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.493

Distribution Coefficient, logD

3.485

Water Solubility, LogSw

-3.55

Polar Surface Area

28.131

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

K786-6769 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K786-6769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-6769?
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What is the minimum amount of K786-6769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-6769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-6769
  • 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 K786-6769 available by request