Y205-6040 Screening compound: [2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl (5-cyclopentyl-4-methyl-4H-1,2,4-triazol-3-yl) sulfide

Y205-6040 Screening compound: [2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl (5-cyclopentyl-4-methyl-4H-1,2,4-triazol-3-yl) sulfide
Y205-6040 Screening compound: [2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl (5-cyclopentyl-4-methyl-4H-1,2,4-triazol-3-yl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-6040
[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl (5-cyclopentyl-4-methyl-4H-1,2,4-triazol-3-yl) sulfide

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

Y205-6040

Molecular Formula

C19H20N4O2S2 (C19 H20 N4 O2 S2)

Compound Name

[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl (5-cyclopentyl-4-methyl-4H-1,2,4-triazol-3-yl) sulfide

IUPAC name

3-({[2-(2H-13-benzodioxol-5-yl)-13-thiazol-4-yl]methyl}sulfanyl)-5-cyclopentyl-4-methyl-4H-124-triazole

SMILES

Cn1c(SCc2csc(-c(cc3)cc4c3OCO4)n2)nnc1C1CCCC1

InChI

InChI=1S/C19H20N4O2S2/c1-23-17(12-4-2-3-5-12)21-22-19(23)27-10-14-9-26-18(20-14)13-6-7-15-16(8-13)25-11-24-15/h6-9,12H,2-5,10-11H2,1H3

InChI Key

GCFSQWJPUMIKNG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.799

Distribution Coefficient, logD

4.798

Water Solubility, LogSw

-4.63

Polar Surface Area

52.954

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.11

Y205-6040 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y205-6040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-6040?
Check Price and Availability of Y205-6040, 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 Y205-6040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-6040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-6040
  • 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 Y205-6040 available by request