V022-9043 Screening compound: 1-benzyl-3-(4-methylphenyl)-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V022-9043 Screening compound: 1-benzyl-3-(4-methylphenyl)-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V022-9043 Screening compound: 1-benzyl-3-(4-methylphenyl)-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-9043
1-benzyl-3-(4-methylphenyl)-7-[(3-methylphenyl)methyl]-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

V022-9043

Molecular Formula

C27H24N4O2 (C27 H24 N4 O2)

Compound Name

1-benzyl-3-(4-methylphenyl)-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-benzyl-3-(4-methylphenyl)-7-[(3-methylphenyl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc(cc1)ccc1N(c1c(C(N2Cc3ccccc3)=O)n(Cc3cc(C)ccc3)cn1)C2=O

InChI

InChI=1S/C27H24N4O2/c1-19-11-13-23(14-12-19)31-25-24(29(18-28-25)16-22-10-6-7-20(2)15-22)26(32)30(27(31)33)17-21-8-4-3-5-9-21/h3-15,18H,16-17H2,1-2H3

InChI Key

KYUMEGKLGGQZDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19919929

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.023

Distribution Coefficient, logD

5.023

Water Solubility, LogSw

-4.73

Polar Surface Area

42.274

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with V022-9043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-9043?
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What is the minimum amount of V022-9043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-9043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-9043
  • 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 V022-9043 available by request