Y206-0818 Screening compound: 4-({[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl-1,3-thiazole

Y206-0818 Screening compound: 4-({[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl-1,3-thiazole
Y206-0818 Screening compound: 4-({[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-0818
4-({[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl-1,3-thiazole

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

Y206-0818

Molecular Formula

C22H18N4O2S2 (C22 H18 N4 O2 S2)

Compound Name

4-({[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-phenyl-1,3-thiazole

IUPAC name

3-(2H-13-benzodioxol-5-yl)-5-{[(2-phenyl-13-thiazol-4-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-124-triazole

SMILES

C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c(cc1)cc2c1OCO2

InChI

InChI=1S/C22H18N4O2S2/c1-2-10-26-20(16-8-9-18-19(11-16)28-14-27-18)24-25-22(26)30-13-17-12-29-21(23-17)15-6-4-3-5-7-15/h2-9,11-12H,1,10,13-14H2

InChI Key

FFCDSDUTZZCIIW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.727

Distribution Coefficient, logD

5.727

Water Solubility, LogSw

-6.15

Polar Surface Area

51.564

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.64

References: we are preparing a list of scientific research reports with Y206-0818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-0818?
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What is the minimum amount of Y206-0818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-0818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-0818
  • 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 Y206-0818 available by request