V004-9538 Screening compound: 4-(5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-6-ethoxy-2-(4-methoxyphenyl)quinoline

V004-9538 Screening compound: 4-(5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-6-ethoxy-2-(4-methoxyphenyl)quinoline
V004-9538 Screening compound: 4-(5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-6-ethoxy-2-(4-methoxyphenyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9538
4-(5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-6-ethoxy-2-(4-methoxyphenyl)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

V004-9538

Molecular Formula

C28H24F2N4O2S (C28 H24 F2 N4 O2 S)

Compound Name

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

IUPAC name

n/a

SMILES

CCOc(cc1c(-c(n2C)nnc2SCc2cc(F)cc(F)c2)c2)ccc1nc2-c(cc1)ccc1OC

InChI

InChI=1S/C28H24F2N4O2S/c1-4-36-22-9-10-25-23(14-22)24(15-26(31-25)18-5-7-21(35-3)8-6-18)27-32-33-28(34(27)2)37-16-17-11-19(29)13-20(30)12-17/h5-15H,4,16H2,1-3H3

InChI Key

XRPHBHHKUXNJLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947002

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.59

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

7.084

Distribution Coefficient, logD

7.060

Water Solubility, LogSw

-5.96

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

17.86

References: we are preparing a list of scientific research reports with V004-9538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9538?
Check Price and Availability of V004-9538, 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 V004-9538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9538
  • 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 V004-9538 available by request