C470-0378 Screening compound: 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0378 Screening compound: 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0378 Screening compound: 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(naphthalen-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0378
8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-[(naphthalen-1-yl)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

C470-0378

Molecular Formula

C29H29FN6O2 (C29 H29 FN6 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2C)=O)n(Cc3cccc4ccccc34)c(CN(CC3)CCN3c(cc3)ccc3F)n1)C2=O

InChI

InChI=1S/C29H29FN6O2/c1-32-27-26(28(37)33(2)29(32)38)36(18-21-8-5-7-20-6-3-4-9-24(20)21)25(31-27)19-34-14-16-35(17-15-34)23-12-10-22(30)11-13-23/h3-13H,14-19H2,1-2H3

InChI Key

KEUWHHGBBQIYKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.59

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

4.744

Distribution Coefficient, logD

4.743

Water Solubility, LogSw

-5.29

Polar Surface Area

50.402

Acid Dissociation Constant (pKa)

20.59

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with C470-0378 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 C470-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0378
  • 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 C470-0378 available by request