8001-1454 Screening compound: 2-(prop-2-en-1-ylsulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

8001-1454 Screening compound: 2-(prop-2-en-1-ylsulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
8001-1454 Screening compound: 2-(prop-2-en-1-ylsulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1454
2-(prop-2-en-1-ylsulfanyl)-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

8001-1454

Molecular Formula

C14H9F3N2S2 (C14 H9 F3 N2 S2)

Compound Name

2-(prop-2-en-1-ylsulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

IUPAC name

2-(prop-2-en-1-ylsulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

SMILES

C=CCSc(nc(cc1C(F)(F)F)-c2cccs2)c1C#N

InChI

InChI=1S/C14H9F3N2S2/c1-2-5-21-13-9(8-18)10(14(15,16)17)7-11(19-13)12-4-3-6-20-12/h2-4,6-7H,1,5H2

InChI Key

HBDYDHKXXFIORO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.245

Distribution Coefficient, logD

5.245

Water Solubility, LogSw

-5.78

Polar Surface Area

26.789

Acid Dissociation Constant (pKa)

29.52

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8001-1454 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8001-1454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1454?
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What is the minimum amount of 8001-1454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1454
  • 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 8001-1454 available by request