7282-4822 Screening compound: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-3-yl)methyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-4822 Screening compound: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-3-yl)methyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-4822 Screening compound: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-3-yl)methyl]amino}-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-4822
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-{[(pyridin-3-yl)methyl]amino}-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

7282-4822

Molecular Formula

C20H19ClN6O2 (C20 H19 ClN6 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2C)=O)n(Cc(cc3)ccc3Cl)c(NCc3cnccc3)n1)C2=O

InChI

InChI=1S/C20H19ClN6O2/c1-25-17-16(18(28)26(2)20(25)29)27(12-13-5-7-15(21)8-6-13)19(24-17)23-11-14-4-3-9-22-10-14/h3-10H,11-12H2,1-2H3,(H,23,24)

InChI Key

OARQZQVYHGSCOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02183193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.932

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-3.54

Polar Surface Area

64.364

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

7282-4822 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 7282-4822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7282-4822?
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What is the minimum amount of 7282-4822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-4822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-4822
  • 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 7282-4822 available by request