V008-6169 Screening compound: 4-[5-({[5-fluoro-2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline

V008-6169 Screening compound: 4-[5-({[5-fluoro-2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline
V008-6169 Screening compound: 4-[5-({[5-fluoro-2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-6169
4-[5-({[5-fluoro-2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-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

V008-6169

Molecular Formula

C31H26F4N4O3S (C31 H26 F4 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(-c2nc3ccccc3c(-c(n3CC=C)nnc3SCc3c(C(F)(F)F)ccc(F)c3)c2)cc(OC)c1OC

InChI

InChI=1S/C31H26F4N4O3S/c1-5-12-39-29(37-38-30(39)43-17-19-13-20(32)10-11-23(19)31(33,34)35)22-16-25(36-24-9-7-6-8-21(22)24)18-14-26(40-2)28(42-4)27(15-18)41-3/h5-11,13-16H,1,12,17H2,2-4H3

InChI Key

FFJXNXWWDIDDOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947140

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

610.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.626

Distribution Coefficient, logD

7.222

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

19.40

References: we are preparing a list of scientific research reports with V008-6169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-6169?
Check Price and Availability of V008-6169, 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 V008-6169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-6169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-6169
  • 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 V008-6169 available by request