V011-1309 Screening compound: 3-[({5-[2-(2-ethoxyphenyl)-7-phenoxyquinolin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile

V011-1309 Screening compound: 3-[({5-[2-(2-ethoxyphenyl)-7-phenoxyquinolin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
V011-1309 Screening compound: 3-[({5-[2-(2-ethoxyphenyl)-7-phenoxyquinolin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-1309
3-[({5-[2-(2-ethoxyphenyl)-7-phenoxyquinolin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile

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

V011-1309

Molecular Formula

C34H27N5O2S (C34 H27 N5 O2 S)

Compound Name

3-[({5-[2-(2-ethoxyphenyl)-7-phenoxyquinolin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile

IUPAC name

3-[({5-[2-(2-ethoxyphenyl)-7-phenoxyquinolin-4-yl]-4-methyl-4H-124-triazol-3-yl}sulfanyl)methyl]benzonitrile

SMILES

CCOc(cccc1)c1-c1nc2cc(Oc3ccccc3)ccc2c(-c(n2C)nnc2SCc2cc(C#N)ccc2)c1

InChI

InChI=1S/C34H27N5O2S/c1-3-40-32-15-8-7-14-28(32)31-20-29(27-17-16-26(19-30(27)36-31)41-25-12-5-4-6-13-25)33-37-38-34(39(33)2)42-22-24-11-9-10-23(18-24)21-35/h4-20H,3,22H2,1-2H3

InChI Key

ZOAXUEBQIOYRKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951829

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

569.69

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

7.589

Distribution Coefficient, logD

7.588

Water Solubility, LogSw

-5.99

Polar Surface Area

64.124

Acid Dissociation Constant (pKa)

21.54

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

V011-1309 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V011-1309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-1309?
Check Price and Availability of V011-1309, 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 V011-1309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-1309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-1309
  • 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 V011-1309 available by request