C470-0388 Screening compound: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

C470-0388 Screening compound: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C470-0388 Screening compound: 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C470-0388
7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperidin-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

C470-0388

Molecular Formula

C21H26ClN5O2 (C21 H26 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC1CCN(Cc2nc(N(C)C(N(C)C3=O)=O)c3n2Cc2cccc(Cl)c2)CC1

InChI

InChI=1S/C21H26ClN5O2/c1-14-7-9-26(10-8-14)13-17-23-19-18(20(28)25(3)21(29)24(19)2)27(17)12-15-5-4-6-16(22)11-15/h4-6,11,14H,7-10,12-13H2,1-3H3

InChI Key

PWAVLMKQPWBJCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04466473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

3.775

Water Solubility, LogSw

-4.13

Polar Surface Area

47.413

Acid Dissociation Constant (pKa)

21.39

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C470-0388 in Drug Discovery

Included in Screening Libraries

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

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 C470-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C470-0388?
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What is the minimum amount of C470-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C470-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C470-0388
  • 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 C470-0388 available by request