D389-0980 Screening compound: 9-cyclohexyl-3-ethyl-1,7-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-0980 Screening compound: 9-cyclohexyl-3-ethyl-1,7-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-0980 Screening compound: 9-cyclohexyl-3-ethyl-1,7-dimethyl-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 D389-0980
9-cyclohexyl-3-ethyl-1,7-dimethyl-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

D389-0980

Molecular Formula

C18H27N5O2 (C18 H27 N5 O2)

Compound Name

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

IUPAC name

9-cyclohexyl-3-ethyl-17-dimethyl-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

CCN(C(c(n1CC(C)C2)c(N3C)nc1N2C1CCCCC1)=O)C3=O

InChI

InChI=1S/C18H27N5O2/c1-4-21-16(24)14-15(20(3)18(21)25)19-17-22(10-12(2)11-23(14)17)13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3/t12-/m0/s1

InChI Key

PZVHAWMANBJMAH-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD08997019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.503

Distribution Coefficient, logD

3.503

Water Solubility, LogSw

-3.61

Polar Surface Area

44.479

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.20

D389-0980 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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 D389-0980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0980?
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What is the minimum amount of D389-0980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0980
  • 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 D389-0980 available by request