V017-0055 Screening compound: 3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole

V017-0055 Screening compound: 3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole
V017-0055 Screening compound: 3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-0055
3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole

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

V017-0055

Molecular Formula

C20H21N3O2S (C20 H21 N3 O2 S)

Compound Name

3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazole

IUPAC name

3-(35-dimethoxyphenyl)-4-(4-methylphenyl)-5-(prop-2-en-1-ylsulfanyl)-4H-124-triazole

SMILES

Cc(cc1)ccc1-n1c(SCC=C)nnc1-c1cc(OC)cc(OC)c1

InChI

InChI=1S/C20H21N3O2S/c1-5-10-26-20-22-21-19(23(20)16-8-6-14(2)7-9-16)15-11-17(24-3)13-18(12-15)25-4/h5-9,11-13H,1,10H2,2-4H3

InChI Key

QLYKCESHBFCMQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843617

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.955

Distribution Coefficient, logD

4.955

Water Solubility, LogSw

-4.70

Polar Surface Area

40.072

Acid Dissociation Constant (pKa)

28.33

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V017-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-0055?
Check Price and Availability of V017-0055, 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 V017-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-0055
  • 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 V017-0055 available by request