V029-5376 Screening compound: 1-benzyl-7-ethyl-3-(2-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V029-5376 Screening compound: 1-benzyl-7-ethyl-3-(2-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V029-5376 Screening compound: 1-benzyl-7-ethyl-3-(2-methoxyphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5376
1-benzyl-7-ethyl-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

V029-5376

Molecular Formula

C21H20N4O3 (C21 H20 N4 O3)

Compound Name

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

IUPAC name

1-benzyl-7-ethyl-3-(2-methoxyphenyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CCn1c(C(N(Cc2ccccc2)C(N2c(cccc3)c3OC)=O)=O)c2nc1

InChI

InChI=1S/C21H20N4O3/c1-3-23-14-22-19-18(23)20(26)24(13-15-9-5-4-6-10-15)21(27)25(19)16-11-7-8-12-17(16)28-2/h4-12,14H,3,13H2,1-2H3

InChI Key

KMJCPCRXELWIOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19919992

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.630

Distribution Coefficient, logD

2.630

Water Solubility, LogSw

-2.81

Polar Surface Area

49.600

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

V029-5376 in Drug Discovery

Included in Screening Libraries

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 V029-5376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5376?
Check Price and Availability of V029-5376, 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 V029-5376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5376
  • 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 V029-5376 available by request