8006-0136 Screening compound: 7-hexyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

8006-0136 Screening compound: 7-hexyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
8006-0136 Screening compound: 7-hexyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-0136
7-hexyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-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

8006-0136

Molecular Formula

C20H24N4O3S (C20 H24 N4 O3 S)

Compound Name

7-hexyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

IUPAC name

7-hexyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCCCn1c(SCC(c2ccccc2)=O)nc(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C20H24N4O3S/c1-3-4-5-9-12-24-16-17(23(2)19(27)22-18(16)26)21-20(24)28-13-15(25)14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12-13H2,1-2H3,(H,22,26,27)

InChI Key

WROUQCDTXNJIRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.323

Distribution Coefficient, logD

4.323

Water Solubility, LogSw

-4.23

Polar Surface Area

65.425

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8006-0136 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-0136?
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What is the minimum amount of 8006-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-0136
  • 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 8006-0136 available by request