V028-7704 Screening compound: 3-{[3-(3-methoxyphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile

V028-7704 Screening compound: 3-{[3-(3-methoxyphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile
V028-7704 Screening compound: 3-{[3-(3-methoxyphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-7704
3-{[3-(3-methoxyphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-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

V028-7704

Molecular Formula

C23H19N5O3 (C23 H19 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(N(c2c(C(N3CC=C)=O)n(Cc4cc(C#N)ccc4)cn2)C3=O)c1

InChI

InChI=1S/C23H19N5O3/c1-3-10-27-22(29)20-21(28(23(27)30)18-8-5-9-19(12-18)31-2)25-15-26(20)14-17-7-4-6-16(11-17)13-24/h3-9,11-12,15H,1,10,14H2,2H3

InChI Key

BFPNGKXZCBUHHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921041

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

413.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.573

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-2.68

Polar Surface Area

67.124

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with V028-7704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-7704?
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What is the minimum amount of V028-7704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-7704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-7704
  • 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 V028-7704 available by request