V021-4767 Screening compound: 3-(2,4-difluorophenyl)-7-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V021-4767 Screening compound: 3-(2,4-difluorophenyl)-7-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V021-4767 Screening compound: 3-(2,4-difluorophenyl)-7-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-4767
3-(2,4-difluorophenyl)-7-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)-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

V021-4767

Molecular Formula

C22H19F3N4O2 (C22 H19 F3 N4 O2)

Compound Name

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

IUPAC name

3-(24-difluorophenyl)-7-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)CN(C(c1c(N2c(ccc(F)c3)c3F)ncn1Cc1cc(F)ccc1)=O)C2=O

InChI

InChI=1S/C22H19F3N4O2/c1-13(2)10-28-21(30)19-20(26-12-27(19)11-14-4-3-5-15(23)8-14)29(22(28)31)18-7-6-16(24)9-17(18)25/h3-9,12-13H,10-11H2,1-2H3

InChI Key

FTDIXJZTFBDAQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904930

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.766

Distribution Coefficient, logD

3.766

Water Solubility, LogSw

-4.01

Polar Surface Area

42.245

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

V021-4767 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V021-4767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-4767?
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What is the minimum amount of V021-4767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-4767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-4767
  • 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 V021-4767 available by request