8017-3897 Screening compound: 7-ethyl-1,3-dimethyl-8-(pyridin-3-yloxy)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8017-3897 Screening compound: 7-ethyl-1,3-dimethyl-8-(pyridin-3-yloxy)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8017-3897 Screening compound: 7-ethyl-1,3-dimethyl-8-(pyridin-3-yloxy)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3897
7-ethyl-1,3-dimethyl-8-(pyridin-3-yloxy)-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

8017-3897

Molecular Formula

C14H15N5O3 (C14 H15 N5 O3)

Compound Name

7-ethyl-1,3-dimethyl-8-(pyridin-3-yloxy)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-ethyl-13-dimethyl-8-(pyridin-3-yloxy)-2367-tetrahydro-1H-purine-26-dione

SMILES

CCn1c(Oc2cnccc2)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C14H15N5O3/c1-4-19-10-11(17(2)14(21)18(3)12(10)20)16-13(19)22-9-6-5-7-15-8-9/h5-8H,4H2,1-3H3

InChI Key

NPUKOKUHMQFHQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.609

Distribution Coefficient, logD

1.609

Water Solubility, LogSw

-1.10

Polar Surface Area

59.267

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8017-3897 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-3897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3897?
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What is the minimum amount of 8017-3897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3897
  • 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 8017-3897 available by request