V029-7557 Screening compound: 7-(3,3-dimethyl-2-oxobutyl)-1-[(furan-2-yl)methyl]-3-phenyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V029-7557 Screening compound: 7-(3,3-dimethyl-2-oxobutyl)-1-[(furan-2-yl)methyl]-3-phenyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V029-7557 Screening compound: 7-(3,3-dimethyl-2-oxobutyl)-1-[(furan-2-yl)methyl]-3-phenyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-7557
7-(3,3-dimethyl-2-oxobutyl)-1-[(furan-2-yl)methyl]-3-phenyl-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

V029-7557

Molecular Formula

C22H22N4O4 (C22 H22 N4 O4)

Compound Name

7-(3,3-dimethyl-2-oxobutyl)-1-[(furan-2-yl)methyl]-3-phenyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-(33-dimethyl-2-oxobutyl)-1-[(furan-2-yl)methyl]-3-phenyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)(C)C(Cn1c(C(N(Cc2ccco2)C(N2c3ccccc3)=O)=O)c2nc1)=O

InChI

InChI=1S/C22H22N4O4/c1-22(2,3)17(27)13-24-14-23-19-18(24)20(28)25(12-16-10-7-11-30-16)21(29)26(19)15-8-5-4-6-9-15/h4-11,14H,12-13H2,1-3H3

InChI Key

WGVYEYZZVXBYPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921076

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.556

Distribution Coefficient, logD

2.556

Water Solubility, LogSw

-2.54

Polar Surface Area

63.542

Acid Dissociation Constant (pKa)

15.63

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V029-7557 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V029-7557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7557?
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What is the minimum amount of V029-7557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7557
  • 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 V029-7557 available by request