V003-5785 Screening compound: 1-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-[(3-fluorophenyl)methyl]piperazine

V003-5785 Screening compound: 1-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-[(3-fluorophenyl)methyl]piperazine
V003-5785 Screening compound: 1-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-[(3-fluorophenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5785
1-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-[(3-fluorophenyl)methyl]piperazine

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

V003-5785

Molecular Formula

C27H24ClFN6 (C27 H24 ClFN6)

Compound Name

1-[8-chloro-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-4-[(3-fluorophenyl)methyl]piperazine

IUPAC name

1-[8-chloro-3-(3-methylphenyl)-[124]triazolo[43-c]quinazolin-5-yl]-4-[(3-fluorophenyl)methyl]piperazine

SMILES

Cc1cccc(-c2nnc3n2c(N2CCN(Cc4cc(F)ccc4)CC2)nc2c3ccc(Cl)c2)c1

InChI

InChI=1S/C27H24ClFN6/c1-18-4-2-6-20(14-18)25-31-32-26-23-9-8-21(28)16-24(23)30-27(35(25)26)34-12-10-33(11-13-34)17-19-5-3-7-22(29)15-19/h2-9,14-16H,10-13,17H2,1H3

InChI Key

RMCWPQZOYBQXBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19924313

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

486.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.230

Distribution Coefficient, logD

5.949

Water Solubility, LogSw

-6.45

Polar Surface Area

36.534

Acid Dissociation Constant (pKa)

20.55

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V003-5785 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V003-5785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5785?
Check Price and Availability of V003-5785, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V003-5785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5785
  • 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 V003-5785 available by request