V011-1010 Screening compound: 4-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline

V011-1010 Screening compound: 4-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline
V011-1010 Screening compound: 4-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]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 V011-1010
4-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]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

V011-1010

Molecular Formula

C31H26F4N4O3S (C31 H26 F4 N4 O3 S)

Compound Name

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

SMILES

COc1cc(-c2nc3ccccc3c(-c(n3CC=C)nnc3SCc(cccc3C(F)(F)F)c3F)c2)cc(OC)c1OC

InChI

InChI=1S/C31H26F4N4O3S/c1-5-13-39-29(37-38-30(39)43-17-18-9-8-11-22(27(18)32)31(33,34)35)21-16-24(36-23-12-7-6-10-20(21)23)19-14-25(40-2)28(42-4)26(15-19)41-3/h5-12,14-16H,1,13,17H2,2-4H3

InChI Key

NERBCQXQDJGVMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19947055

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

610.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.638

Distribution Coefficient, logD

7.234

Water Solubility, LogSw

-6.15

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 V011-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-1010?
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What is the minimum amount of V011-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-1010
  • 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 V011-1010 available by request