C470-0090 Screening compound: 7-benzyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0090 Screening compound: 7-benzyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0090 Screening compound: 7-benzyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0090
7-benzyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-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

C470-0090

Molecular Formula

C25H27FN6O2 (C25 H27 FN6 O2)

Compound Name

7-benzyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-benzyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc3ccccc3)c(CN(CC3)CCN3c(cccc3)c3F)n1)C2=O

InChI

InChI=1S/C25H27FN6O2/c1-28-23-22(24(33)29(2)25(28)34)32(16-18-8-4-3-5-9-18)21(27-23)17-30-12-14-31(15-13-30)20-11-7-6-10-19(20)26/h3-11H,12-17H2,1-2H3

InChI Key

PNYWPJSDFNGWBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.552

Distribution Coefficient, logD

3.551

Water Solubility, LogSw

-3.63

Polar Surface Area

50.372

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with C470-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0090?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0090
  • 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 C470-0090 available by request