V031-0071 Screening compound: 3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

V031-0071 Screening compound: 3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
V031-0071 Screening compound: 3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0071
3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

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

V031-0071

Molecular Formula

C20H20N4OS (C20 H20 N4 OS)

Compound Name

3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide

IUPAC name

3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzamide

SMILES

Cc(cc1)ccc1-c(n1CC=C)nnc1SCc1cc(C(N)=O)ccc1

InChI

InChI=1S/C20H20N4OS/c1-3-11-24-19(16-9-7-14(2)8-10-16)22-23-20(24)26-13-15-5-4-6-17(12-15)18(21)25/h3-10,12H,1,11,13H2,2H3,(H2,21,25)

InChI Key

PEOLUPRBGXZYRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27634167

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

364.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.721

Distribution Coefficient, logD

3.721

Water Solubility, LogSw

-3.99

Polar Surface Area

58.278

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with V031-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0071?
Check Price and Availability of V031-0071, 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 V031-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0071
  • 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 V031-0071 available by request