7599-1438 Screening compound: 1-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7599-1438 Screening compound: 1-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7599-1438 Screening compound: 1-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7599-1438
1-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-3-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

7599-1438

Molecular Formula

C15H15ClN4O3 (C15 H15 ClN4 O3)

Compound Name

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

IUPAC name

1-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-3-methyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2Cc(cc3)ccc3Cl)=O)n(CCO)cn1)C2=O

InChI

InChI=1S/C15H15ClN4O3/c1-18-13-12(19(6-7-21)9-17-13)14(22)20(15(18)23)8-10-2-4-11(16)5-3-10/h2-5,9,21H,6-8H2,1H3

InChI Key

KWUMZKINMGVQKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01554855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.085

Distribution Coefficient, logD

1.085

Water Solubility, LogSw

-2.22

Polar Surface Area

59.829

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

7599-1438 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 7599-1438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7599-1438?
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What is the minimum amount of 7599-1438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7599-1438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7599-1438
  • 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 7599-1438 available by request