D389-0857 Screening compound: 9-cyclohexyl-3-(3-hydroxypropyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-0857 Screening compound: 9-cyclohexyl-3-(3-hydroxypropyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-0857 Screening compound: 9-cyclohexyl-3-(3-hydroxypropyl)-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 D389-0857
9-cyclohexyl-3-(3-hydroxypropyl)-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

D389-0857

Molecular Formula

C18H27N5O3 (C18 H27 N5 O3)

Compound Name

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

IUPAC name

9-cyclohexyl-3-(3-hydroxypropyl)-1-methyl-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

CN(c1c(C(N2CCCO)=O)n(CCCN3C4CCCCC4)c3n1)C2=O

InChI

InChI=1S/C18H27N5O3/c1-20-15-14(16(25)23(18(20)26)11-6-12-24)22-10-5-9-21(17(22)19-15)13-7-3-2-4-8-13/h13,24H,2-12H2,1H3

InChI Key

IKAFZYYJVSMPJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08996981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.025

Distribution Coefficient, logD

2.025

Water Solubility, LogSw

-1.93

Polar Surface Area

61.521

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.20

D389-0857 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

Nucleoside Mimetics Library (2197 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D389-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0857?
Check Price and Availability of D389-0857, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D389-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0857
  • 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 D389-0857 available by request