V011-6490 Screening compound: 2-phenyl-4-[4-(prop-2-en-1-yl)-5-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]quinoline

V011-6490 Screening compound: 2-phenyl-4-[4-(prop-2-en-1-yl)-5-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]quinoline
V011-6490 Screening compound: 2-phenyl-4-[4-(prop-2-en-1-yl)-5-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-6490
2-phenyl-4-[4-(prop-2-en-1-yl)-5-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]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

V011-6490

Molecular Formula

C27H19F3N4S (C27 H19 F3 N4 S)

Compound Name

2-phenyl-4-[4-(prop-2-en-1-yl)-5-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]quinoline

IUPAC name

2-phenyl-4-[4-(prop-2-en-1-yl)-5-{[(236-trifluorophenyl)methyl]sulfanyl}-4H-124-triazol-3-yl]quinoline

SMILES

C=CCn1c(SCc(c(F)ccc2F)c2F)nnc1-c1cc(-c2ccccc2)nc2ccccc12

InChI

InChI=1S/C27H19F3N4S/c1-2-14-34-26(32-33-27(34)35-16-20-21(28)12-13-22(29)25(20)30)19-15-24(17-8-4-3-5-9-17)31-23-11-7-6-10-18(19)23/h2-13,15H,1,14,16H2

InChI Key

MLZUISVPVSWGFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947060

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.451

Distribution Coefficient, logD

7.450

Water Solubility, LogSw

-6.77

Polar Surface Area

32.278

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

V011-6490 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V011-6490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-6490?
Check Price and Availability of V011-6490, 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 V011-6490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-6490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-6490
  • 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 V011-6490 available by request