K786-2008 Screening compound: propan-2-yl 2-({[(3,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate

K786-2008 Screening compound: propan-2-yl 2-({[(3,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate
K786-2008 Screening compound: propan-2-yl 2-({[(3,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2008
propan-2-yl 2-({[(3,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate

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

K786-2008

Molecular Formula

C19H22N2O5S (C19 H22 N2 O5 S)

Compound Name

propan-2-yl 2-({[(3,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate

IUPAC name

propan-2-yl 2-({[(35-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylate

SMILES

CC(C)OC(c1cccnc1SCC(Nc1cc(OC)cc(OC)c1)=O)=O

InChI

InChI=1S/C19H22N2O5S/c1-12(2)26-19(23)16-6-5-7-20-18(16)27-11-17(22)21-13-8-14(24-3)10-15(9-13)25-4/h5-10,12H,11H2,1-4H3,(H,21,22)

InChI Key

XEFOWYNZTMNWOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.389

Distribution Coefficient, logD

3.389

Water Solubility, LogSw

-3.83

Polar Surface Area

67.816

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

K786-2008 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K786-2008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2008?
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What is the minimum amount of K786-2008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2008
  • 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 K786-2008 available by request