D389-0779 Screening compound: 9-[(furan-2-yl)methyl]-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-0779 Screening compound: 9-[(furan-2-yl)methyl]-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-0779 Screening compound: 9-[(furan-2-yl)methyl]-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D389-0779
9-[(furan-2-yl)methyl]-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-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

D389-0779

Molecular Formula

C14H15N5O3 (C14 H15 N5 O3)

Compound Name

9-[(furan-2-yl)methyl]-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

IUPAC name

9-[(furan-2-yl)methyl]-1-methyl-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

CN(c1c(C(N2)=O)n(CCCN3Cc4ccco4)c3n1)C2=O

InChI

InChI=1S/C14H15N5O3/c1-17-11-10(12(20)16-14(17)21)19-6-3-5-18(13(19)15-11)8-9-4-2-7-22-9/h2,4,7H,3,5-6,8H2,1H3,(H,16,20,21)

InChI Key

HVAGUUWVWIVBKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05682109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.574

Distribution Coefficient, logD

1.574

Water Solubility, LogSw

-2.12

Polar Surface Area

61.928

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

D389-0779 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D389-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0779?
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What is the minimum amount of D389-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0779
  • 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 D389-0779 available by request