V021-4782 Screening compound: 7-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V021-4782 Screening compound: 7-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V021-4782 Screening compound: 7-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-4782
7-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-3-[4-(propan-2-yl)phenyl]-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

V021-4782

Molecular Formula

C24H24F2N4O3 (C24 H24 F2 N4 O3)

Compound Name

7-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-3-[4-(propan-2-yl)phenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(24-difluorophenyl)methyl]-1-(2-methoxyethyl)-3-[4-(propan-2-yl)phenyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)c(cc1)ccc1N(c1c(C(N2CCOC)=O)n(Cc(ccc(F)c3)c3F)cn1)C2=O

InChI

InChI=1S/C24H24F2N4O3/c1-15(2)16-5-8-19(9-6-16)30-22-21(23(31)29(24(30)32)10-11-33-3)28(14-27-22)13-17-4-7-18(25)12-20(17)26/h4-9,12,14-15H,10-11,13H2,1-3H3

InChI Key

JKYKYTOCJVVKKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19920628

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.909

Distribution Coefficient, logD

3.909

Water Solubility, LogSw

-3.82

Polar Surface Area

50.867

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with V021-4782 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-4782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-4782
  • 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 V021-4782 available by request