C692-0295 Screening compound: 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0295 Screening compound: 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0295 Screening compound: 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0295
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2,5-dimethylphenyl)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

C692-0295

Molecular Formula

C27H32N6O2 (C27 H32 N6 O2)

Compound Name

8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-[(4-benzylpiperazin-1-yl)methyl]-7-[(25-dimethylphenyl)methyl]-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cc1cc(Cn2c(C(NC(N3C)=O)=O)c3nc2CN2CCN(Cc3ccccc3)CC2)c(C)cc1

InChI

InChI=1S/C27H32N6O2/c1-19-9-10-20(2)22(15-19)17-33-23(28-25-24(33)26(34)29-27(35)30(25)3)18-32-13-11-31(12-14-32)16-21-7-5-4-6-8-21/h4-10,15H,11-14,16-18H2,1-3H3,(H,29,34,35)

InChI Key

ULOWKONYPJALDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06401664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

3.551

Water Solubility, LogSw

-3.79

Polar Surface Area

59.867

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C692-0295 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C692-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C692-0295?
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What is the minimum amount of C692-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0295
  • 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 C692-0295 available by request