V004-9565 Screening compound: 2-({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(naphthalen-2-yl)ethan-1-one

V004-9565 Screening compound: 2-({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(naphthalen-2-yl)ethan-1-one
V004-9565 Screening compound: 2-({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(naphthalen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9565
2-({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(naphthalen-2-yl)ethan-1-one

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

V004-9565

Molecular Formula

C32H26N4OS2 (C32 H26 N4 OS2)

Compound Name

2-({5-[6,7-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(naphthalen-2-yl)ethan-1-one

IUPAC name

2-({5-[67-dimethyl-2-(thiophen-2-yl)quinolin-4-yl]-4-(prop-2-en-1-yl)-4H-124-triazol-3-yl}sulfanyl)-1-(naphthalen-2-yl)ethan-1-one

SMILES

Cc(cc1c(-c(n2CC=C)nnc2SCC(c2cc3ccccc3cc2)=O)c2)c(C)cc1nc2-c1cccs1

InChI

InChI=1S/C32H26N4OS2/c1-4-13-36-31(26-18-28(30-10-7-14-38-30)33-27-16-21(3)20(2)15-25(26)27)34-35-32(36)39-19-29(37)24-12-11-22-8-5-6-9-23(22)17-24/h4-12,14-18H,1,13,19H2,2-3H3

InChI Key

XDHDIPIRNZIGGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951765

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

546.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.772

Distribution Coefficient, logD

8.772

Water Solubility, LogSw

-6.51

Polar Surface Area

46.272

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V004-9565 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 V004-9565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9565?
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What is the minimum amount of V004-9565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9565
  • 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 V004-9565 available by request