7282-5789 Screening compound: 1-[(4-chlorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-5789 Screening compound: 1-[(4-chlorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-5789 Screening compound: 1-[(4-chlorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-5789
1-[(4-chlorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-3,7-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

7282-5789

Molecular Formula

C19H18ClN5O3 (C19 H18 ClN5 O3)

Compound Name

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

IUPAC name

1-[(4-chlorophenyl)methyl]-8-{[(furan-2-yl)methyl]amino}-37-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(NCc2ccco2)nc(N(C)C(N2Cc(cc3)ccc3Cl)=O)c1C2=O

InChI

InChI=1S/C19H18ClN5O3/c1-23-15-16(22-18(23)21-10-14-4-3-9-28-14)24(2)19(27)25(17(15)26)11-12-5-7-13(20)8-6-12/h3-9H,10-11H2,1-2H3,(H,21,22)

InChI Key

GKOZIMWHIANJEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01555980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.84

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

3.454

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-3.89

Polar Surface Area

63.639

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

7282-5789 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 7282-5789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7282-5789?
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What is the minimum amount of 7282-5789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-5789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-5789
  • 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 7282-5789 available by request