V010-0072 Screening compound: 4-[4-(prop-2-en-1-yl)-5-{[(2,4,5-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline

V010-0072 Screening compound: 4-[4-(prop-2-en-1-yl)-5-{[(2,4,5-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline
V010-0072 Screening compound: 4-[4-(prop-2-en-1-yl)-5-{[(2,4,5-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0072
4-[4-(prop-2-en-1-yl)-5-{[(2,4,5-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline

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

V010-0072

Molecular Formula

C30H25F3N4O3S (C30 H25 F3 N4 O3 S)

Compound Name

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

IUPAC name

4-[4-(prop-2-en-1-yl)-5-{[(245-trifluorophenyl)methyl]sulfanyl}-4H-124-triazol-3-yl]-2-(345-trimethoxyphenyl)quinoline

SMILES

COc1cc(-c2nc3ccccc3c(-c(n3CC=C)nnc3SCc(cc(c(F)c3)F)c3F)c2)cc(OC)c1OC

InChI

InChI=1S/C30H25F3N4O3S/c1-5-10-37-29(35-36-30(37)41-16-18-11-22(32)23(33)15-21(18)31)20-14-25(34-24-9-7-6-8-19(20)24)17-12-26(38-2)28(40-4)27(13-17)39-3/h5-9,11-15H,1,10,16H2,2-4H3

InChI Key

QYYKLAFKVNJPRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947110

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

578.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.973

Distribution Coefficient, logD

6.569

Water Solubility, LogSw

-6.11

Polar Surface Area

55.256

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with V010-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0072?
Check Price and Availability of V010-0072, 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 V010-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0072
  • 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 V010-0072 available by request