C692-0358 Screening compound: 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C692-0358 Screening compound: 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C692-0358 Screening compound: 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C692-0358
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(4-chlorophenyl)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

C692-0358

Molecular Formula

C25H27ClN6O2 (C25 H27 ClN6 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2)=O)n(Cc(cc3)ccc3Cl)c(CN3CCN(Cc4ccccc4)CC3)n1)C2=O

InChI

InChI=1S/C25H27ClN6O2/c1-29-23-22(24(33)28-25(29)34)32(16-19-7-9-20(26)10-8-19)21(27-23)17-31-13-11-30(12-14-31)15-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,28,33,34)

InChI Key

GONXZNDTTJZNIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.98

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

3.233

Distribution Coefficient, logD

2.962

Water Solubility, LogSw

-3.69

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

32.00

References: we are preparing a list of scientific research reports with C692-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C692-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C692-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C692-0358
  • 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 C692-0358 available by request