V015-2184 Screening compound: 4-(5-{[(2-chloro-6-fluoro-3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline

V015-2184 Screening compound: 4-(5-{[(2-chloro-6-fluoro-3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline
V015-2184 Screening compound: 4-(5-{[(2-chloro-6-fluoro-3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-2184
4-(5-{[(2-chloro-6-fluoro-3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)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

V015-2184

Molecular Formula

C31H28ClFN4O3S (C31 H28 ClFN4 O3 S)

Compound Name

4-(5-{[(2-chloro-6-fluoro-3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline

IUPAC name

4-(5-{[(2-chloro-6-fluoro-3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl)-2-(345-trimethoxyphenyl)quinoline

SMILES

Cc(c(Cl)c1CSc2nnc(-c3cc(-c(cc4OC)cc(OC)c4OC)nc4ccccc34)n2CC=C)ccc1F

InChI

InChI=1S/C31H28ClFN4O3S/c1-6-13-37-30(35-36-31(37)41-17-22-23(33)12-11-18(2)28(22)32)21-16-25(34-24-10-8-7-9-20(21)24)19-14-26(38-3)29(40-5)27(15-19)39-4/h6-12,14-16H,1,13,17H2,2-5H3

InChI Key

MUYFMQLABJUHDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947153

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

591.11

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

7.898

Distribution Coefficient, logD

7.494

Water Solubility, LogSw

-6.86

Polar Surface Area

55.256

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.40

References: we are preparing a list of scientific research reports with V015-2184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-2184?
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What is the minimum amount of V015-2184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-2184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-2184
  • 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 V015-2184 available by request