Y500-3718 Screening compound: 5-[(E)-1-(1-methyl-1H-pyrazol-4-yl)methylidene]-3-(1-phenylethyl)-2-thioxo-1,3-thiazolan-4-one

Y500-3718 Screening compound: 5-[(E)-1-(1-methyl-1H-pyrazol-4-yl)methylidene]-3-(1-phenylethyl)-2-thioxo-1,3-thiazolan-4-one
Y500-3718 Screening compound: 5-[(E)-1-(1-methyl-1H-pyrazol-4-yl)methylidene]-3-(1-phenylethyl)-2-thioxo-1,3-thiazolan-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-3718
5-[(E)-1-(1-methyl-1H-pyrazol-4-yl)methylidene]-3-(1-phenylethyl)-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

Y500-3718

Molecular Formula

C16H15N3OS2 (C16 H15 N3 OS2)

Compound Name

5-[(E)-1-(1-methyl-1H-pyrazol-4-yl)methylidene]-3-(1-phenylethyl)-2-thioxo-1,3-thiazolan-4-one

IUPAC name

(5E)-5-[(1-methyl-1H-pyrazol-4-yl)methylidene]-3-(1-phenylethyl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CC(c1ccccc1)N(C(/C(/S1)=C\c2cn(C)nc2)=O)C1=S

InChI

InChI=1S/C16H15N3OS2/c1-11(13-6-4-3-5-7-13)19-15(20)14(22-16(19)21)8-12-9-17-18(2)10-12/h3-11H,1-2H3/t11-/m0/s1

InChI Key

BLLIELLGLFCNMZ-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.777

Distribution Coefficient, logD

2.777

Water Solubility, LogSw

-3.03

Polar Surface Area

30.592

Acid Dissociation Constant (pKa)

27.81

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.75

References: we are preparing a list of scientific research reports with Y500-3718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-3718?
Check Price and Availability of Y500-3718, 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 Y500-3718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-3718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-3718
  • 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 Y500-3718 available by request