C470-0544 Screening compound: 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0544 Screening compound: 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0544 Screening compound: 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0544
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-pentyl-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

C470-0544

Molecular Formula

C24H34N6O3 (C24 H34 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCCn1c(C(N(C)C(N2C)=O)=O)c2nc1CN(CC1)CCN1c(cc1)ccc1OC

InChI

InChI=1S/C24H34N6O3/c1-5-6-7-12-30-20(25-22-21(30)23(31)27(3)24(32)26(22)2)17-28-13-15-29(16-14-28)18-8-10-19(33-4)11-9-18/h8-11H,5-7,12-17H2,1-4H3

InChI Key

KVPISQYPAQVTEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

3.834

Water Solubility, LogSw

-3.81

Polar Surface Area

58.467

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

References: we are preparing a list of scientific research reports with C470-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0544?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0544
  • 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 C470-0544 available by request