D389-0908 Screening compound: 3-ethyl-1,7-dimethyl-9-(4-phenoxyphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-0908 Screening compound: 3-ethyl-1,7-dimethyl-9-(4-phenoxyphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-0908 Screening compound: 3-ethyl-1,7-dimethyl-9-(4-phenoxyphenyl)-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 D389-0908
3-ethyl-1,7-dimethyl-9-(4-phenoxyphenyl)-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

D389-0908

Molecular Formula

C24H25N5O3 (C24 H25 N5 O3)

Compound Name

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

IUPAC name

3-ethyl-17-dimethyl-9-(4-phenoxyphenyl)-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

CCN(C(c(n1CC(C)C2)c(N3C)nc1N2c(cc1)ccc1Oc1ccccc1)=O)C3=O

InChI

InChI=1S/C24H25N5O3/c1-4-27-22(30)20-21(26(3)24(27)31)25-23-28(14-16(2)15-29(20)23)17-10-12-19(13-11-17)32-18-8-6-5-7-9-18/h5-13,16H,4,14-15H2,1-3H3/t16-/m0/s1

InChI Key

HVZWJWHMYIRIQK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08996995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

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

4.834

Distribution Coefficient, logD

4.834

Water Solubility, LogSw

-4.51

Polar Surface Area

51.394

Acid Dissociation Constant (pKa)

21.95

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

D389-0908 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D389-0908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0908?
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What is the minimum amount of D389-0908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0908
  • 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 D389-0908 available by request