V021-6186 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-4-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine

V021-6186 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-4-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine
V021-6186 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-4-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6186
1-(2H-1,3-benzodioxole-5-carbonyl)-4-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]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

V021-6186

Molecular Formula

C27H21ClN6O3 (C27 H21 ClN6 O3)

Compound Name

1-(2H-1,3-benzodioxole-5-carbonyl)-4-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine

IUPAC name

1-(2H-13-benzodioxole-5-carbonyl)-4-[3-(2-chlorophenyl)-[124]triazolo[43-c]quinazolin-5-yl]piperazine

SMILES

O=C(c(cc1)cc2c1OCO2)N(CC1)CCN1c1nc(cccc2)c2c2nnc(-c(cccc3)c3Cl)n12

InChI

InChI=1S/C27H21ClN6O3/c28-20-7-3-1-5-18(20)24-30-31-25-19-6-2-4-8-21(19)29-27(34(24)25)33-13-11-32(12-14-33)26(35)17-9-10-22-23(15-17)37-16-36-22/h1-10,15H,11-14,16H2

InChI Key

XEJIWMZYBNWZOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19923644

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.378

Distribution Coefficient, logD

4.312

Water Solubility, LogSw

-4.53

Polar Surface Area

66.565

Acid Dissociation Constant (pKa)

20.97

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V021-6186 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 V021-6186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6186?
Check Price and Availability of V021-6186, 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 V021-6186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6186
  • 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 V021-6186 available by request