C692-0276 Screening compound: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0276 Screening compound: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0276 Screening compound: 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0276
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-methyl-7-[(2-methylphenyl)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

C692-0276

Molecular Formula

C25H27ClN6O2 (C25 H27 ClN6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cn2c(C(NC(N3C)=O)=O)c3nc2CN(CC2)CCN2c2cccc(Cl)c2)cccc1

InChI

InChI=1S/C25H27ClN6O2/c1-17-6-3-4-7-18(17)15-32-21(27-23-22(32)24(33)28-25(34)29(23)2)16-30-10-12-31(13-11-30)20-9-5-8-19(26)14-20/h3-9,14H,10-13,15-16H2,1-2H3,(H,28,33,34)

InChI Key

LDKUATZPRCNOKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.297

Distribution Coefficient, logD

4.295

Water Solubility, LogSw

-4.40

Polar Surface Area

59.587

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C692-0276 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C692-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0276?
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What is the minimum amount of C692-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0276
  • 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 C692-0276 available by request