V021-6047 Screening compound: 1-benzyl-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V021-6047 Screening compound: 1-benzyl-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V021-6047 Screening compound: 1-benzyl-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6047
1-benzyl-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)-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

V021-6047

Molecular Formula

C27H24N4O4 (C27 H24 N4 O4)

Compound Name

1-benzyl-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-benzyl-3-(3-methoxyphenyl)-7-(2-phenoxyethyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

COc1cccc(N(c2c(C(N3Cc4ccccc4)=O)n(CCOc4ccccc4)cn2)C3=O)c1

InChI

InChI=1S/C27H24N4O4/c1-34-23-14-8-11-21(17-23)31-25-24(26(32)30(27(31)33)18-20-9-4-2-5-10-20)29(19-28-25)15-16-35-22-12-6-3-7-13-22/h2-14,17,19H,15-16,18H2,1H3

InChI Key

AUXDDSURUMVYSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921506

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.31

Polar Surface Area

57.214

Acid Dissociation Constant (pKa)

23.19

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

V021-6047 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-6047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6047?
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What is the minimum amount of V021-6047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6047
  • 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 V021-6047 available by request