8011-1941 Screening compound: 8-(benzylamino)-7-(2-hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8011-1941 Screening compound: 8-(benzylamino)-7-(2-hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8011-1941 Screening compound: 8-(benzylamino)-7-(2-hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1941
8-(benzylamino)-7-(2-hydroxyethyl)-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

8011-1941

Molecular Formula

C16H19N5O3 (C16 H19 N5 O3)

Compound Name

8-(benzylamino)-7-(2-hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-(benzylamino)-7-(2-hydroxyethyl)-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CCO)c(NCc3ccccc3)n1)C2=O

InChI

InChI=1S/C16H19N5O3/c1-19-13-12(14(23)20(2)16(19)24)21(8-9-22)15(18-13)17-10-11-6-4-3-5-7-11/h3-7,22H,8-10H2,1-2H3,(H,17,18)

InChI Key

TVSYQHNNGWVMJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.429

Distribution Coefficient, logD

1.428

Water Solubility, LogSw

-1.62

Polar Surface Area

71.752

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8011-1941 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8011-1941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1941?
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What is the minimum amount of 8011-1941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1941
  • 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 8011-1941 available by request