C470-0390 Screening compound: 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0390 Screening compound: 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0390 Screening compound: 8-[(4-benzylpiperidin-1-yl)methyl]-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0390
8-[(4-benzylpiperidin-1-yl)methyl]-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-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

C470-0390

Molecular Formula

C27H30ClN5O2 (C27 H30 ClN5 O2)

Compound Name

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

IUPAC name

8-[(4-benzylpiperidin-1-yl)methyl]-7-[(3-chlorophenyl)methyl]-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc3cccc(Cl)c3)c(CN3CCC(Cc4ccccc4)CC3)n1)C2=O

InChI

InChI=1S/C27H30ClN5O2/c1-30-25-24(26(34)31(2)27(30)35)33(17-21-9-6-10-22(28)16-21)23(29-25)18-32-13-11-20(12-14-32)15-19-7-4-3-5-8-19/h3-10,16,20H,11-15,17-18H2,1-2H3

InChI Key

LAVOGKAPWBZYLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.436

Distribution Coefficient, logD

5.428

Water Solubility, LogSw

-5.88

Polar Surface Area

47.142

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C470-0390 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • Nuclear receptors
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C470-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0390?
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What is the minimum amount of C470-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0390
  • 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 C470-0390 available by request