C470-0079 Screening compound: 7-benzyl-8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0079 Screening compound: 7-benzyl-8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0079 Screening compound: 7-benzyl-8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0079
7-benzyl-8-[(4-benzylpiperidin-1-yl)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

C470-0079

Molecular Formula

C27H31N5O2 (C27 H31 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2C)=O)n(Cc3ccccc3)c(CN3CCC(Cc4ccccc4)CC3)n1)C2=O

InChI

InChI=1S/C27H31N5O2/c1-29-25-24(26(33)30(2)27(29)34)32(18-22-11-7-4-8-12-22)23(28-25)19-31-15-13-21(14-16-31)17-20-9-5-3-6-10-20/h3-12,21H,13-19H2,1-2H3

InChI Key

JQMWDCUPZHIGNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.58

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

4.780

Distribution Coefficient, logD

4.773

Water Solubility, LogSw

-4.54

Polar Surface Area

47.142

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C470-0079 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C470-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0079?
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What is the minimum amount of C470-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0079
  • 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 C470-0079 available by request