D389-0828 Screening compound: 1-methyl-3-[2-(morpholin-4-yl)ethyl]-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-0828 Screening compound: 1-methyl-3-[2-(morpholin-4-yl)ethyl]-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-0828 Screening compound: 1-methyl-3-[2-(morpholin-4-yl)ethyl]-9-(2-phenylethyl)-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 D389-0828
1-methyl-3-[2-(morpholin-4-yl)ethyl]-9-(2-phenylethyl)-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

D389-0828

Molecular Formula

C23H30N6O3 (C23 H30 N6 O3)

Compound Name

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

IUPAC name

1-methyl-3-[2-(morpholin-4-yl)ethyl]-9-(2-phenylethyl)-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

CN(c1c(C(N2CCN3CCOCC3)=O)n(CCCN3CCc4ccccc4)c3n1)C2=O

InChI

InChI=1S/C23H30N6O3/c1-25-20-19(21(30)29(23(25)31)13-12-26-14-16-32-17-15-26)28-10-5-9-27(22(28)24-20)11-8-18-6-3-2-4-7-18/h2-4,6-7H,5,8-17H2,1H3

InChI Key

PAAROIRGWVMLNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05690581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

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

2.129

Distribution Coefficient, logD

1.947

Water Solubility, LogSw

-2.34

Polar Surface Area

57.076

Acid Dissociation Constant (pKa)

21.37

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

D389-0828 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D389-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0828?
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What is the minimum amount of D389-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0828
  • 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 D389-0828 available by request