7599-0859 Screening compound: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-phenoxy-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7599-0859 Screening compound: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-phenoxy-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7599-0859 Screening compound: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-phenoxy-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7599-0859
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-phenoxy-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

7599-0859

Molecular Formula

C20H17ClN4O3 (C20 H17 ClN4 O3)

Compound Name

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

IUPAC name

1-[(2-chlorophenyl)methyl]-37-dimethyl-8-phenoxy-2367-tetrahydro-1H-purine-26-dione

SMILES

Cn1c(Oc2ccccc2)nc(N(C)C(N2Cc(cccc3)c3Cl)=O)c1C2=O

InChI

InChI=1S/C20H17ClN4O3/c1-23-16-17(22-19(23)28-14-9-4-3-5-10-14)24(2)20(27)25(18(16)26)12-13-8-6-7-11-15(13)21/h3-11H,12H2,1-2H3

InChI Key

VQPHDKWUOGBBKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06595174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.83

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

4.034

Distribution Coefficient, logD

4.034

Water Solubility, LogSw

-4.32

Polar Surface Area

50.797

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

7599-0859 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7599-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7599-0859?
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What is the minimum amount of 7599-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7599-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7599-0859
  • 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 7599-0859 available by request