D389-0957 Screening compound: 3-ethyl-1,7-dimethyl-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-0957 Screening compound: 3-ethyl-1,7-dimethyl-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-0957 Screening compound: 3-ethyl-1,7-dimethyl-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 D389-0957
3-ethyl-1,7-dimethyl-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

D389-0957

Molecular Formula

C20H25N5O2 (C20 H25 N5 O2)

Compound Name

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

IUPAC name

3-ethyl-17-dimethyl-9-(2-phenylethyl)-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

CCN(C(c1c(N2C)nc3N(CCc4ccccc4)CC(C)Cn13)=O)C2=O

InChI

InChI=1S/C20H25N5O2/c1-4-24-18(26)16-17(22(3)20(24)27)21-19-23(12-14(2)13-25(16)19)11-10-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3/t14-/m0/s1

InChI Key

GMOUXONDTOYBTR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD05706714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

3.324

Water Solubility, LogSw

-3.57

Polar Surface Area

45.070

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

D389-0957 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D389-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0957?
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What is the minimum amount of D389-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0957
  • 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 D389-0957 available by request