V018-7117 Screening compound: 1-{4-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one

V018-7117 Screening compound: 1-{4-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
V018-7117 Screening compound: 1-{4-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-7117
1-{4-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-(thiophen-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

V018-7117

Molecular Formula

C26H24N6O2S (C26 H24 N6 O2 S)

Compound Name

1-{4-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one

IUPAC name

1-{4-[3-(4-methoxyphenyl)-[124]triazolo[43-c]quinazolin-5-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one

SMILES

COc(cc1)ccc1-c1nnc2n1c(N(CC1)CCN1C(Cc1cccs1)=O)nc1c2cccc1

InChI

InChI=1S/C26H24N6O2S/c1-34-19-10-8-18(9-11-19)24-28-29-25-21-6-2-3-7-22(21)27-26(32(24)25)31-14-12-30(13-15-31)23(33)17-20-5-4-16-35-20/h2-11,16H,12-15,17H2,1H3

InChI Key

QYTYDMSXSSWDHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19902363

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.059

Water Solubility, LogSw

-4.19

Polar Surface Area

57.484

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V018-7117 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V018-7117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-7117?
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What is the minimum amount of V018-7117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-7117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-7117
  • 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 V018-7117 available by request