V030-3216 Screening compound: 4-[8-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-(prop-2-en-1-yl)piperazine-1-carboxamide

V030-3216 Screening compound: 4-[8-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-(prop-2-en-1-yl)piperazine-1-carboxamide
V030-3216 Screening compound: 4-[8-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-(prop-2-en-1-yl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3216
4-[8-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-(prop-2-en-1-yl)piperazine-1-carboxamide

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

V030-3216

Molecular Formula

C20H24ClN7O2 (C20 H24 ClN7 O2)

Compound Name

4-[8-chloro-3-(methoxymethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methyl-N-(prop-2-en-1-yl)piperazine-1-carboxamide

IUPAC name

4-[8-chloro-3-(methoxymethyl)-[124]triazolo[43-c]quinazolin-5-yl]-2-methyl-N-(prop-2-en-1-yl)piperazine-1-carboxamide

SMILES

CC(CN(CC1)c2nc(cc(cc3)Cl)c3c3nnc(COC)n23)N1C(NCC=C)=O

InChI

InChI=1S/C20H24ClN7O2/c1-4-7-22-20(29)27-9-8-26(11-13(27)2)19-23-16-10-14(21)5-6-15(16)18-25-24-17(12-30-3)28(18)19/h4-6,10,13H,1,7-9,11-12H2,2-3H3,(H,22,29)/t13-/m0/s1

InChI Key

WKJHAKNWIMBWOJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD19924109

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.441

Distribution Coefficient, logD

2.427

Water Solubility, LogSw

-3.34

Polar Surface Area

68.595

Acid Dissociation Constant (pKa)

15.63

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V030-3216 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V030-3216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3216?
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What is the minimum amount of V030-3216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3216
  • 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 V030-3216 available by request