C692-0216 Screening compound: 7-benzyl-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0216 Screening compound: 7-benzyl-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0216 Screening compound: 7-benzyl-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0216
7-benzyl-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-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

C692-0216

Molecular Formula

C25H28N6O3 (C25 H28 N6 O3)

Compound Name

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

IUPAC name

7-benzyl-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2)=O)n(Cc3ccccc3)c(CN(CC3)CCN3c(cc3)ccc3OC)n1)C2=O

InChI

InChI=1S/C25H28N6O3/c1-28-23-22(24(32)27-25(28)33)31(16-18-6-4-3-5-7-18)21(26-23)17-29-12-14-30(15-13-29)19-8-10-20(34-2)11-9-19/h3-11H,12-17H2,1-2H3,(H,27,32,33)

InChI Key

OCANQQDOFJVGLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.39

Polar Surface Area

67.131

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with C692-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0216?
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What is the minimum amount of C692-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0216
  • 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 C692-0216 available by request