D389-0447 Screening compound: 3-(3-hydroxypropyl)-9-(4-methoxyphenyl)-1,7-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-0447 Screening compound: 3-(3-hydroxypropyl)-9-(4-methoxyphenyl)-1,7-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-0447 Screening compound: 3-(3-hydroxypropyl)-9-(4-methoxyphenyl)-1,7-dimethyl-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 D389-0447
3-(3-hydroxypropyl)-9-(4-methoxyphenyl)-1,7-dimethyl-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

D389-0447

Molecular Formula

C20H25N5O4 (C20 H25 N5 O4)

Compound Name

3-(3-hydroxypropyl)-9-(4-methoxyphenyl)-1,7-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

IUPAC name

3-(3-hydroxypropyl)-9-(4-methoxyphenyl)-17-dimethyl-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

CC(Cn1c2nc(N(C)C(N3CCCO)=O)c1C3=O)CN2c(cc1)ccc1OC

InChI

InChI=1S/C20H25N5O4/c1-13-11-24(14-5-7-15(29-3)8-6-14)19-21-17-16(25(19)12-13)18(27)23(9-4-10-26)20(28)22(17)2/h5-8,13,26H,4,9-12H2,1-3H3/t13-/m0/s1

InChI Key

MSWOXHMLUMOFAH-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04170279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.332

Distribution Coefficient, logD

2.332

Water Solubility, LogSw

-2.50

Polar Surface Area

69.099

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

D389-0447 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Nucleoside Mimetics Library (2197 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Structure:
  • Mimetics
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D389-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0447?
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What is the minimum amount of D389-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0447
  • 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 D389-0447 available by request