V024-5944 Screening compound: 1,7-dibenzyl-3-(2-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V024-5944 Screening compound: 1,7-dibenzyl-3-(2-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V024-5944 Screening compound: 1,7-dibenzyl-3-(2-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-5944
1,7-dibenzyl-3-(2-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

V024-5944

Molecular Formula

C26H22N4O3 (C26 H22 N4 O3)

Compound Name

1,7-dibenzyl-3-(2-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

17-dibenzyl-3-(2-methoxyphenyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

COc(cccc1)c1N(c1c(C(N2Cc3ccccc3)=O)n(Cc3ccccc3)cn1)C2=O

InChI

InChI=1S/C26H22N4O3/c1-33-22-15-9-8-14-21(22)30-24-23(28(18-27-24)16-19-10-4-2-5-11-19)25(31)29(26(30)32)17-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3

InChI Key

WTCNLOSKGMMWGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19919991

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

438.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.812

Distribution Coefficient, logD

3.812

Water Solubility, LogSw

-4.06

Polar Surface Area

49.604

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

V024-5944 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V024-5944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-5944?
Check Price and Availability of V024-5944, 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 V024-5944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-5944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-5944
  • 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 V024-5944 available by request