Y508-0118 Screening compound: butyl 4-[({5-[(Z)-1-(2-chlorophenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}methyl)amino]benzoate

Y508-0118 Screening compound: butyl 4-[({5-[(Z)-1-(2-chlorophenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}methyl)amino]benzoate
Y508-0118 Screening compound: butyl 4-[({5-[(Z)-1-(2-chlorophenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}methyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-0118
butyl 4-[({5-[(Z)-1-(2-chlorophenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}methyl)amino]benzoate

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

Y508-0118

Molecular Formula

C22H21ClN2O3S2 (C22 H21 ClN2 O3 S2)

Compound Name

butyl 4-[({5-[(Z)-1-(2-chlorophenyl)methylidene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}methyl)amino]benzoate

IUPAC name

n/a

SMILES

CCCCOC(c(cc1)ccc1NCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)=O

InChI

InChI=1S/C22H21ClN2O3S2/c1-2-3-12-28-21(27)15-8-10-17(11-9-15)24-14-25-20(26)19(30-22(25)29)13-16-6-4-5-7-18(16)23/h4-11,13,24H,2-3,12,14H2,1H3

InChI Key

QZEZWZORPZVWTA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.449

Distribution Coefficient, logD

6.449

Water Solubility, LogSw

-6.15

Polar Surface Area

48.650

Acid Dissociation Constant (pKa)

18.10

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with Y508-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-0118?
Check Price and Availability of Y508-0118, 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 Y508-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-0118
  • 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 Y508-0118 available by request