V023-0381 Screening compound: 7-benzyl-3-(3-methoxyphenyl)-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V023-0381 Screening compound: 7-benzyl-3-(3-methoxyphenyl)-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V023-0381 Screening compound: 7-benzyl-3-(3-methoxyphenyl)-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-0381
7-benzyl-3-(3-methoxyphenyl)-1-(prop-2-en-1-yl)-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

V023-0381

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

7-benzyl-3-(3-methoxyphenyl)-1-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-benzyl-3-(3-methoxyphenyl)-1-(prop-2-en-1-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

COc1cccc(N(c2c(C(N3CC=C)=O)n(Cc4ccccc4)cn2)C3=O)c1

InChI

InChI=1S/C22H20N4O3/c1-3-12-25-21(27)19-20(23-15-24(19)14-16-8-5-4-6-9-16)26(22(25)28)17-10-7-11-18(13-17)29-2/h3-11,13,15H,1,12,14H2,2H3

InChI Key

GJLPFWARVYHJDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904167

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.999

Distribution Coefficient, logD

2.999

Water Solubility, LogSw

-3.30

Polar Surface Area

50.068

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with V023-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-0381?
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What is the minimum amount of V023-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-0381
  • 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 V023-0381 available by request