3076-0194 Screening compound: 6-methyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile

3076-0194 Screening compound: 6-methyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
3076-0194 Screening compound: 6-methyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3076-0194
6-methyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-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

3076-0194

Molecular Formula

C8H5F3N2S (C8 H5 F3 N2 S)

Compound Name

6-methyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile

IUPAC name

6-methyl-2-sulfanylidene-4-(trifluoromethyl)-12-dihydropyridine-3-carbonitrile

SMILES

CC(NC1=S)=CC(C(F)(F)F)=C1C#N

InChI

InChI=1S/C8H5F3N2S/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2H,1H3,(H,13,14)

InChI Key

SNXNHTJMLREHDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00486813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.962

Distribution Coefficient, logD

-2.963

Water Solubility, LogSw

-2.21

Polar Surface Area

28.946

Acid Dissociation Constant (pKa)

2.47

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3076-0194 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 3076-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3076-0194?
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What is the minimum amount of 3076-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3076-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3076-0194
  • 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 3076-0194 available by request