V016-5167 Screening compound: 3-(2,4-difluorophenyl)-7-[(3-methylphenyl)methyl]-1-[(oxolan-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V016-5167 Screening compound: 3-(2,4-difluorophenyl)-7-[(3-methylphenyl)methyl]-1-[(oxolan-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V016-5167 Screening compound: 3-(2,4-difluorophenyl)-7-[(3-methylphenyl)methyl]-1-[(oxolan-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-5167
3-(2,4-difluorophenyl)-7-[(3-methylphenyl)methyl]-1-[(oxolan-2-yl)methyl]-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

V016-5167

Molecular Formula

C24H22F2N4O3 (C24 H22 F2 N4 O3)

Compound Name

3-(2,4-difluorophenyl)-7-[(3-methylphenyl)methyl]-1-[(oxolan-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

3-(24-difluorophenyl)-7-[(3-methylphenyl)methyl]-1-[(oxolan-2-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc1cccc(Cn2c(C(N(CC3OCCC3)C(N3c(ccc(F)c4)c4F)=O)=O)c3nc2)c1

InChI

InChI=1S/C24H22F2N4O3/c1-15-4-2-5-16(10-15)12-28-14-27-22-21(28)23(31)29(13-18-6-3-9-33-18)24(32)30(22)20-8-7-17(25)11-19(20)26/h2,4-5,7-8,10-11,14,18H,3,6,9,12-13H2,1H3/t18-/m1/s1

InChI Key

GIIXUOYCYYRKNQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19919696

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.46

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

3.094

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-3.09

Polar Surface Area

50.628

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

V016-5167 in Drug Discovery

Included in Screening Libraries

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 V016-5167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-5167?
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What is the minimum amount of V016-5167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-5167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-5167
  • 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 V016-5167 available by request