C470-0479 Screening compound: 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-[(piperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0479 Screening compound: 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-[(piperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0479 Screening compound: 1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-[(piperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0479
1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-[(piperidin-1-yl)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

C470-0479

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

1,3-dimethyl-7-(2-oxo-2-phenylethyl)-8-[(piperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

13-dimethyl-7-(2-oxo-2-phenylethyl)-8-[(piperidin-1-yl)methyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CC(c3ccccc3)=O)c(CN3CCCCC3)n1)C2=O

InChI

InChI=1S/C21H25N5O3/c1-23-19-18(20(28)24(2)21(23)29)26(13-16(27)15-9-5-3-6-10-15)17(22-19)14-25-11-7-4-8-12-25/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3

InChI Key

POJWGGVLLANPQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04009129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.132

Distribution Coefficient, logD

2.086

Water Solubility, LogSw

-2.38

Polar Surface Area

60.660

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C470-0479 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C470-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0479?
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What is the minimum amount of C470-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0479
  • 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 C470-0479 available by request