V029-0848 Screening compound: methyl 2-{[1-benzyl-3-(2-methoxyphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

V029-0848 Screening compound: methyl 2-{[1-benzyl-3-(2-methoxyphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate
V029-0848 Screening compound: methyl 2-{[1-benzyl-3-(2-methoxyphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0848
methyl 2-{[1-benzyl-3-(2-methoxyphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

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

V029-0848

Molecular Formula

C28H24N4O5 (C28 H24 N4 O5)

Compound Name

methyl 2-{[1-benzyl-3-(2-methoxyphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzoate

IUPAC name

methyl 2-{[1-benzyl-3-(2-methoxyphenyl)-26-dioxo-2367-tetrahydro-1H-purin-7-yl]methyl}benzoate

SMILES

COC(c1c(Cn2c(C(N(Cc3ccccc3)C(N3c(cccc4)c4OC)=O)=O)c3nc2)cccc1)=O

InChI

InChI=1S/C28H24N4O5/c1-36-23-15-9-8-14-22(23)32-25-24(26(33)31(28(32)35)16-19-10-4-3-5-11-19)30(18-29-25)17-20-12-6-7-13-21(20)27(34)37-2/h3-15,18H,16-17H2,1-2H3

InChI Key

NDFQUQVUARAAOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921395

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

496.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.869

Distribution Coefficient, logD

3.869

Water Solubility, LogSw

-4.03

Polar Surface Area

70.778

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

V029-0848 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 V029-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0848?
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What is the minimum amount of V029-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0848
  • 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 V029-0848 available by request