C692-0153 Screening compound: 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0153 Screening compound: 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0153 Screening compound: 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0153
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-methylpropyl)-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

C692-0153

Molecular Formula

C22H30N6O3 (C22 H30 N6 O3)

Compound Name

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

IUPAC name

8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-methylpropyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)Cn1c(C(NC(N2C)=O)=O)c2nc1CN(CC1)CCN1c(cc1)ccc1OC

InChI

InChI=1S/C22H30N6O3/c1-15(2)13-28-18(23-20-19(28)21(29)24-22(30)25(20)3)14-26-9-11-27(12-10-26)16-5-7-17(31-4)8-6-16/h5-8,15H,9-14H2,1-4H3,(H,24,29,30)

InChI Key

IUKCVEUTVPUBJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

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

2.790

Distribution Coefficient, logD

2.776

Water Solubility, LogSw

-3.35

Polar Surface Area

67.403

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C692-0153 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C692-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0153?
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What is the minimum amount of C692-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0153
  • 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 C692-0153 available by request