V011-9077 Screening compound: 4-(5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-(2-ethoxyphenyl)-7-phenoxyquinoline

V011-9077 Screening compound: 4-(5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-(2-ethoxyphenyl)-7-phenoxyquinoline
V011-9077 Screening compound: 4-(5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-(2-ethoxyphenyl)-7-phenoxyquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-9077
4-(5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-(2-ethoxyphenyl)-7-phenoxyquinoline

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

V011-9077

Molecular Formula

C33H26Cl2N4O2S (C33 H26 Cl2 N4 O2 S)

Compound Name

4-(5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-(2-ethoxyphenyl)-7-phenoxyquinoline

IUPAC name

4-(5-{[(26-dichlorophenyl)methyl]sulfanyl}-4-methyl-4H-124-triazol-3-yl)-2-(2-ethoxyphenyl)-7-phenoxyquinoline

SMILES

CCOc(cccc1)c1-c1nc2cc(Oc3ccccc3)ccc2c(-c(n2C)nnc2SCc(c(Cl)ccc2)c2Cl)c1

InChI

InChI=1S/C33H26Cl2N4O2S/c1-3-40-31-15-8-7-12-24(31)30-19-25(23-17-16-22(18-29(23)36-30)41-21-10-5-4-6-11-21)32-37-38-33(39(32)2)42-20-26-27(34)13-9-14-28(26)35/h4-19H,3,20H2,1-2H3

InChI Key

UDZDSLDXYZZIOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951828

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

613.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

9.297

Distribution Coefficient, logD

9.296

Water Solubility, LogSw

-6.76

Polar Surface Area

47.068

Acid Dissociation Constant (pKa)

21.54

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

V011-9077 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 V011-9077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-9077?
Check Price and Availability of V011-9077, 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 V011-9077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-9077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-9077
  • 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 V011-9077 available by request