D389-0736 Screening compound: 3-(2-methoxyethyl)-1-methyl-9-(4-phenoxyphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-0736 Screening compound: 3-(2-methoxyethyl)-1-methyl-9-(4-phenoxyphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-0736 Screening compound: 3-(2-methoxyethyl)-1-methyl-9-(4-phenoxyphenyl)-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 D389-0736
3-(2-methoxyethyl)-1-methyl-9-(4-phenoxyphenyl)-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

D389-0736

Molecular Formula

C24H25N5O4 (C24 H25 N5 O4)

Compound Name

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

IUPAC name

3-(2-methoxyethyl)-1-methyl-9-(4-phenoxyphenyl)-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

CN(c1c(C(N2CCOC)=O)n(CCCN3c(cc4)ccc4Oc4ccccc4)c3n1)C2=O

InChI

InChI=1S/C24H25N5O4/c1-26-21-20(22(30)29(24(26)31)15-16-32-2)28-14-6-13-27(23(28)25-21)17-9-11-19(12-10-17)33-18-7-4-3-5-8-18/h3-5,7-12H,6,13-16H2,1-2H3

InChI Key

RQPYEDUYSLNGJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05703360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.916

Distribution Coefficient, logD

3.915

Water Solubility, LogSw

-4.00

Polar Surface Area

60.123

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D389-0736 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D389-0736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0736?
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What is the minimum amount of D389-0736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0736
  • 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 D389-0736 available by request