D389-0855 Screening compound: 9-cyclohexyl-1-methyl-3-[2-(piperidin-1-yl)ethyl]-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-0855 Screening compound: 9-cyclohexyl-1-methyl-3-[2-(piperidin-1-yl)ethyl]-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-0855 Screening compound: 9-cyclohexyl-1-methyl-3-[2-(piperidin-1-yl)ethyl]-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 D389-0855
9-cyclohexyl-1-methyl-3-[2-(piperidin-1-yl)ethyl]-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

D389-0855

Molecular Formula

C22H34N6O2 (C22 H34 N6 O2)

Compound Name

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

IUPAC name

9-cyclohexyl-1-methyl-3-[2-(piperidin-1-yl)ethyl]-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

CN(c1c(C(N2CCN3CCCCC3)=O)n(CCCN3C4CCCCC4)c3n1)C2=O

InChI

InChI=1S/C22H34N6O2/c1-24-19-18(20(29)28(22(24)30)16-15-25-11-6-3-7-12-25)27-14-8-13-26(21(27)23-19)17-9-4-2-5-10-17/h17H,2-16H2,1H3

InChI Key

KRBMDSVXIFHFCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08996979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

1.071

Water Solubility, LogSw

-3.13

Polar Surface Area

48.577

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.30

D389-0855 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D389-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0855?
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What is the minimum amount of D389-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0855
  • 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 D389-0855 available by request