1500-0317 Screening compound: 3-allyl-5-[1-methyl-5-(trifluoromethyl)-2(1H)-pyridinyliden]-2-thioxo-1,3-thiazolan-4-one

1500-0317 Screening compound: 3-allyl-5-[1-methyl-5-(trifluoromethyl)-2(1H)-pyridinyliden]-2-thioxo-1,3-thiazolan-4-one
1500-0317 Screening compound: 3-allyl-5-[1-methyl-5-(trifluoromethyl)-2(1H)-pyridinyliden]-2-thioxo-1,3-thiazolan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1500-0317
3-allyl-5-[1-methyl-5-(trifluoromethyl)-2(1H)-pyridinyliden]-2-thioxo-1,3-thiazolan-4-one

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

1500-0317

Molecular Formula

C13H11F3N2OS2 (C13 H11 F3 N2 OS2)

Compound Name

3-allyl-5-[1-methyl-5-(trifluoromethyl)-2(1H)-pyridinyliden]-2-thioxo-1,3-thiazolan-4-one

IUPAC name

5-[(2Z)-1-methyl-5-(trifluoromethyl)-12-dihydropyridin-2-ylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CN(C=C(C(F)(F)F)C=C1)/C1=C(/C(N1CC=C)=O)\SC1=S

InChI

InChI=1S/C13H11F3N2OS2/c1-3-6-18-11(19)10(21-12(18)20)9-5-4-8(7-17(9)2)13(14,15)16/h3-5,7H,1,6H2,2H3

InChI Key

LGSMVYCAIGCQKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00766816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.613

Distribution Coefficient, logD

2.613

Water Solubility, LogSw

-2.58

Polar Surface Area

21.579

Acid Dissociation Constant (pKa)

33.62

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

1500-0317 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1500-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1500-0317?
Check Price and Availability of 1500-0317, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1500-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1500-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1500-0317
  • 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 1500-0317 available by request