6114-0189 Screening compound: 6-(4-methoxyphenyl)-2-{[3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile

6114-0189 Screening compound: 6-(4-methoxyphenyl)-2-{[3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile
6114-0189 Screening compound: 6-(4-methoxyphenyl)-2-{[3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6114-0189
6-(4-methoxyphenyl)-2-{[3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile

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

6114-0189

Molecular Formula

C24H19F3N4O2S (C24 H19 F3 N4 O2 S)

Compound Name

6-(4-methoxyphenyl)-2-{[3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile

IUPAC name

6-(4-methoxyphenyl)-2-{[3-(2-oxo-23-dihydro-1H-13-benzodiazol-1-yl)propyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile

SMILES

COc(cc1)ccc1-c(nc1SCCCN(c(cccc2)c2N2)C2=O)cc(C(F)(F)F)c1C#N

InChI

InChI=1S/C24H19F3N4O2S/c1-33-16-9-7-15(8-10-16)20-13-18(24(25,26)27)17(14-28)22(29-20)34-12-4-11-31-21-6-3-2-5-19(21)30-23(31)32/h2-3,5-10,13H,4,11-12H2,1H3,(H,30,32)

InChI Key

MXKHBRHYAHESCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03697792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.290

Distribution Coefficient, logD

6.290

Water Solubility, LogSw

-5.49

Polar Surface Area

60.116

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

6114-0189 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6114-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6114-0189?
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What is the minimum amount of 6114-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6114-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6114-0189
  • 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 6114-0189 available by request