V029-5424 Screening compound: 1-cyclopentyl-3-(3-fluorophenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

V029-5424 Screening compound: 1-cyclopentyl-3-(3-fluorophenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
V029-5424 Screening compound: 1-cyclopentyl-3-(3-fluorophenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5424
1-cyclopentyl-3-(3-fluorophenyl)-7-{[4-(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

V029-5424

Molecular Formula

C24H20F4N4O2 (C24 H20 F4 N4 O2)

Compound Name

1-cyclopentyl-3-(3-fluorophenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-cyclopentyl-3-(3-fluorophenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-2367-tetrahydro-1H-purine-26-dione

SMILES

O=C(c1c(N2c3cccc(F)c3)ncn1Cc1ccc(C(F)(F)F)cc1)N(C1CCCC1)C2=O

InChI

InChI=1S/C24H20F4N4O2/c25-17-4-3-7-19(12-17)31-21-20(22(33)32(23(31)34)18-5-1-2-6-18)30(14-29-21)13-15-8-10-16(11-9-15)24(26,27)28/h3-4,7-12,14,18H,1-2,5-6,13H2

InChI Key

WUQJTQPXPORJED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19919976

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

472.44

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

4.345

Distribution Coefficient, logD

4.345

Water Solubility, LogSw

-4.53

Polar Surface Area

41.862

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with V029-5424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5424?
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What is the minimum amount of V029-5424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5424
  • 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 V029-5424 available by request