V007-5275 Screening compound: 4-(5-{[(2-chloro-5-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline

V007-5275 Screening compound: 4-(5-{[(2-chloro-5-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-2-(3,4,5-trimethoxyphenyl)quinoline
V007-5275 Screening compound: 4-(5-{[(2-chloro-5-fluorophenyl)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 V007-5275
4-(5-{[(2-chloro-5-fluorophenyl)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

V007-5275

Molecular Formula

C30H26ClFN4O3S (C30 H26 ClFN4 O3 S)

Compound Name

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

SMILES

COc1cc(-c2nc3ccccc3c(-c(n3CC=C)nnc3SCc(cc(cc3)F)c3Cl)c2)cc(OC)c1OC

InChI

InChI=1S/C30H26ClFN4O3S/c1-5-12-36-29(34-35-30(36)40-17-19-13-20(32)10-11-23(19)31)22-16-25(33-24-9-7-6-8-21(22)24)18-14-26(37-2)28(39-4)27(15-18)38-3/h5-11,13-16H,1,12,17H2,2-4H3

InChI Key

JIMRVPDKTPOBBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947154

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

577.08

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

7.274

Distribution Coefficient, logD

6.870

Water Solubility, LogSw

-6.66

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

16.70

References: we are preparing a list of scientific research reports with V007-5275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-5275?
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What is the minimum amount of V007-5275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-5275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-5275
  • 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 V007-5275 available by request