V023-8466 Screening compound: 1-cyclopropyl-3-(3-methylphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V023-8466 Screening compound: 1-cyclopropyl-3-(3-methylphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V023-8466 Screening compound: 1-cyclopropyl-3-(3-methylphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-8466
1-cyclopropyl-3-(3-methylphenyl)-7-{[3-(trifluoromethyl)phenyl]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

V023-8466

Molecular Formula

C23H19F3N4O2 (C23 H19 F3 N4 O2)

Compound Name

1-cyclopropyl-3-(3-methylphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-cyclopropyl-3-(3-methylphenyl)-7-{[3-(trifluoromethyl)phenyl]methyl}-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc1cccc(N(c2c(C(N3C4CC4)=O)n(Cc4cccc(C(F)(F)F)c4)cn2)C3=O)c1

InChI

InChI=1S/C23H19F3N4O2/c1-14-4-2-7-18(10-14)29-20-19(21(31)30(22(29)32)17-8-9-17)28(13-27-20)12-15-5-3-6-16(11-15)23(24,25)26/h2-7,10-11,13,17H,8-9,12H2,1H3

InChI Key

SHEWYIRCLYSHEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19920814

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

440.42

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

4.073

Distribution Coefficient, logD

4.073

Water Solubility, LogSw

-4.22

Polar Surface Area

41.827

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with V023-8466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-8466?
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What is the minimum amount of V023-8466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-8466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-8466
  • 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 V023-8466 available by request