Y205-1081 Screening compound: 3-[({4-allyl-5-[(4-isopropylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl methyl ether

Y205-1081 Screening compound: 3-[({4-allyl-5-[(4-isopropylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl methyl ether
Y205-1081 Screening compound: 3-[({4-allyl-5-[(4-isopropylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-1081
3-[({4-allyl-5-[(4-isopropylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]phenyl methyl ether

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

Y205-1081

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

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

IUPAC name

3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-124-triazole

SMILES

CC(C)c(cc1)ccc1OCc(n1CC=C)nnc1SCc1cc(OC)ccc1

InChI

InChI=1S/C23H27N3O2S/c1-5-13-26-22(15-28-20-11-9-19(10-12-20)17(2)3)24-25-23(26)29-16-18-7-6-8-21(14-18)27-4/h5-12,14,17H,1,13,15-16H2,2-4H3

InChI Key

NCMWMJHBINUJLE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.455

Distribution Coefficient, logD

5.455

Water Solubility, LogSw

-5.58

Polar Surface Area

40.238

Acid Dissociation Constant (pKa)

22.83

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

References: we are preparing a list of scientific research reports with Y205-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-1081?
Check Price and Availability of Y205-1081, 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 Y205-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-1081
  • 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 Y205-1081 available by request