V028-6745 Screening compound: 2-{[1-cyclopropyl-3-(2-methylphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile

V028-6745 Screening compound: 2-{[1-cyclopropyl-3-(2-methylphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile
V028-6745 Screening compound: 2-{[1-cyclopropyl-3-(2-methylphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-6745
2-{[1-cyclopropyl-3-(2-methylphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile

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

V028-6745

Molecular Formula

C23H19N5O2 (C23 H19 N5 O2)

Compound Name

2-{[1-cyclopropyl-3-(2-methylphenyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile

IUPAC name

2-{[1-cyclopropyl-3-(2-methylphenyl)-26-dioxo-2367-tetrahydro-1H-purin-7-yl]methyl}benzonitrile

SMILES

Cc(cccc1)c1N(c1c(C(N2C3CC3)=O)n(Cc(cccc3)c3C#N)cn1)C2=O

InChI

InChI=1S/C23H19N5O2/c1-15-6-2-5-9-19(15)28-21-20(22(29)27(23(28)30)18-10-11-18)26(14-25-21)13-17-8-4-3-7-16(17)12-24/h2-9,14,18H,10-11,13H2,1H3

InChI Key

WVRBVMDMTNSEKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921061

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

397.44

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

3.075

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-3.39

Polar Surface Area

58.582

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with V028-6745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-6745?
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What is the minimum amount of V028-6745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-6745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-6745
  • 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 V028-6745 available by request