Y502-7775 Screening compound: 2-{5-[(E)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-3-phenylpropanoic acid

Y502-7775 Screening compound: 2-{5-[(E)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-3-phenylpropanoic acid
Y502-7775 Screening compound: 2-{5-[(E)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-7775
2-{5-[(E)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-3-phenylpropanoic acid

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

Y502-7775

Molecular Formula

C18H17N3O3S2 (C18 H17 N3 O3 S2)

Compound Name

2-{5-[(E)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-3-phenylpropanoic acid

IUPAC name

2-[(5E)-5-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-3-phenylpropanoic acid

SMILES

CCn1ncc(/C=C(\C(N2C(Cc3ccccc3)C(O)=O)=O)/SC2=S)c1

InChI

InChI=1S/C18H17N3O3S2/c1-2-20-11-13(10-19-20)9-15-16(22)21(18(25)26-15)14(17(23)24)8-12-6-4-3-5-7-12/h3-7,9-11,14H,2,8H2,1H3,(H,23,24)/t14-/m0/s1

InChI Key

ILWLSZVGIPIVLP-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.227

Distribution Coefficient, logD

-0.596

Water Solubility, LogSw

-2.39

Polar Surface Area

58.278

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with Y502-7775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-7775?
Check Price and Availability of Y502-7775, 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 Y502-7775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-7775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-7775
  • 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 Y502-7775 available by request