V010-0081 Screening compound: 6-ethoxy-2-(4-methoxyphenyl)-4-(4-methyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)quinoline

V010-0081 Screening compound: 6-ethoxy-2-(4-methoxyphenyl)-4-(4-methyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)quinoline
V010-0081 Screening compound: 6-ethoxy-2-(4-methoxyphenyl)-4-(4-methyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0081
6-ethoxy-2-(4-methoxyphenyl)-4-(4-methyl-5-{[(4-methylphenyl)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

V010-0081

Molecular Formula

C29H28N4O2S (C29 H28 N4 O2 S)

Compound Name

6-ethoxy-2-(4-methoxyphenyl)-4-(4-methyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)quinoline

IUPAC name

6-ethoxy-2-(4-methoxyphenyl)-4-(4-methyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-124-triazol-3-yl)quinoline

SMILES

CCOc(cc1c(-c(n2C)nnc2SCc2ccc(C)cc2)c2)ccc1nc2-c(cc1)ccc1OC

InChI

InChI=1S/C29H28N4O2S/c1-5-35-23-14-15-26-24(16-23)25(17-27(30-26)21-10-12-22(34-4)13-11-21)28-31-32-29(33(28)3)36-18-20-8-6-19(2)7-9-20/h6-17H,5,18H2,1-4H3

InChI Key

HPIXDNIHEQASMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946964

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

496.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.822

Distribution Coefficient, logD

6.798

Water Solubility, LogSw

-5.89

Polar Surface Area

47.777

Acid Dissociation Constant (pKa)

21.11

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

V010-0081 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V010-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0081?
Check Price and Availability of V010-0081, 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 V010-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0081
  • 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 V010-0081 available by request