V011-6413 Screening compound: 4-(5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-phenylquinoline

V011-6413 Screening compound: 4-(5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
V011-6413 Screening compound: 4-(5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-phenylquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-6413
4-(5-{[(3,4-dimethylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-phenylquinoline

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

V011-6413

Molecular Formula

C29H26N4S (C29 H26 N4 S)

Compound Name

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

IUPAC name

4-(5-{[(34-dimethylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl)-2-phenylquinoline

SMILES

Cc1c(C)cc(CSc2nnc(-c3cc(-c4ccccc4)nc4ccccc34)n2CC=C)cc1

InChI

InChI=1S/C29H26N4S/c1-4-16-33-28(31-32-29(33)34-19-22-15-14-20(2)21(3)17-22)25-18-27(23-10-6-5-7-11-23)30-26-13-9-8-12-24(25)26/h4-15,17-18H,1,16,19H2,2-3H3

InChI Key

WTBLYNOUOMNALX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951644

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.62

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

7.834

Distribution Coefficient, logD

7.833

Water Solubility, LogSw

-6.19

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

13.80

References: we are preparing a list of scientific research reports with V011-6413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-6413?
Check Price and Availability of V011-6413, 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 V011-6413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-6413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-6413
  • 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 V011-6413 available by request