5224-0094 Screening compound: 7-[(4-chlorophenyl)methyl]-8-(ethylamino)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

5224-0094 Screening compound: 7-[(4-chlorophenyl)methyl]-8-(ethylamino)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
5224-0094 Screening compound: 7-[(4-chlorophenyl)methyl]-8-(ethylamino)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5224-0094
7-[(4-chlorophenyl)methyl]-8-(ethylamino)-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

5224-0094

Molecular Formula

C16H18ClN5O2 (C16 H18 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCNc1nc(N(C)C(N(C)C2=O)=O)c2n1Cc(cc1)ccc1Cl

InChI

InChI=1S/C16H18ClN5O2/c1-4-18-15-19-13-12(14(23)21(3)16(24)20(13)2)22(15)9-10-5-7-11(17)8-6-10/h5-8H,4,9H2,1-3H3,(H,18,19)

InChI Key

IUHAZHCBFYWDDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03417492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

3.202

Water Solubility, LogSw

-3.64

Polar Surface Area

54.744

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

5224-0094 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 5224-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5224-0094?
Check Price and Availability of 5224-0094, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5224-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5224-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5224-0094
  • 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 5224-0094 available by request