D389-0990 Screening compound: 9-cyclohexyl-1,7-dimethyl-3-[2-(piperidin-1-yl)ethyl]-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-0990 Screening compound: 9-cyclohexyl-1,7-dimethyl-3-[2-(piperidin-1-yl)ethyl]-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-0990 Screening compound: 9-cyclohexyl-1,7-dimethyl-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 D389-0990
9-cyclohexyl-1,7-dimethyl-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

D389-0990

Molecular Formula

C23H36N6O2 (C23 H36 N6 O2)

Compound Name

9-cyclohexyl-1,7-dimethyl-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-17-dimethyl-3-[2-(piperidin-1-yl)ethyl]-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

CC1CN(C2CCCCC2)c2nc(N(C)C(N(CCN3CCCCC3)C3=O)=O)c3n2C1

InChI

InChI=1S/C23H36N6O2/c1-17-15-28(18-9-5-3-6-10-18)22-24-20-19(29(22)16-17)21(30)27(23(31)25(20)2)14-13-26-11-7-4-8-12-26/h17-18H,3-16H2,1-2H3/t17-/m0/s1

InChI Key

ZYLDVQZIUCRGSV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD08997025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.58

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

3.908

Distribution Coefficient, logD

1.755

Water Solubility, LogSw

-3.69

Polar Surface Area

48.444

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.30

D389-0990 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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

References: we are preparing a list of scientific research reports with D389-0990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0990?
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What is the minimum amount of D389-0990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0990
  • 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 D389-0990 available by request