3419-0107 Screening compound: 2-[(2-oxopropyl)sulfanyl]-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

3419-0107 Screening compound: 2-[(2-oxopropyl)sulfanyl]-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
3419-0107 Screening compound: 2-[(2-oxopropyl)sulfanyl]-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3419-0107
2-[(2-oxopropyl)sulfanyl]-6-(thiophen-2-yl)-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

3419-0107

Molecular Formula

C14H9F3N2OS2 (C14 H9 F3 N2 OS2)

Compound Name

2-[(2-oxopropyl)sulfanyl]-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

IUPAC name

2-[(2-oxopropyl)sulfanyl]-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

SMILES

CC(CSc(nc(cc1C(F)(F)F)-c2cccs2)c1C#N)=O

InChI

InChI=1S/C14H9F3N2OS2/c1-8(20)7-22-13-9(6-18)10(14(15,16)17)5-11(19-13)12-3-2-4-21-12/h2-5H,7H2,1H3

InChI Key

QXNUNEVRJLCTJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01885870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.119

Distribution Coefficient, logD

4.119

Water Solubility, LogSw

-4.43

Polar Surface Area

40.124

Acid Dissociation Constant (pKa)

19.06

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

3419-0107 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3419-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3419-0107?
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What is the minimum amount of 3419-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3419-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3419-0107
  • 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 3419-0107 available by request