V023-8436 Screening compound: 3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V023-8436 Screening compound: 3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V023-8436 Screening compound: 3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-8436
3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-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

V023-8436

Molecular Formula

C27H23FN4O4 (C27 H23 FN4 O4)

Compound Name

3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-7-(2-phenoxyethyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

COc1ccc(CN(C(c2c(N3c(cc4)ccc4F)ncn2CCOc2ccccc2)=O)C3=O)cc1

InChI

InChI=1S/C27H23FN4O4/c1-35-22-13-7-19(8-14-22)17-31-26(33)24-25(32(27(31)34)21-11-9-20(28)10-12-21)29-18-30(24)15-16-36-23-5-3-2-4-6-23/h2-14,18H,15-17H2,1H3

InChI Key

JUGRXGQRLROKEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19921587

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

486.5

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

4.100

Distribution Coefficient, logD

4.100

Water Solubility, LogSw

-4.13

Polar Surface Area

57.214

Acid Dissociation Constant (pKa)

23.19

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

V023-8436 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V023-8436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-8436?
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What is the minimum amount of V023-8436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-8436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-8436
  • 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 V023-8436 available by request