D389-0516 Screening compound: 9-(3-methoxyphenyl)-1,7-dimethyl-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-0516 Screening compound: 9-(3-methoxyphenyl)-1,7-dimethyl-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-0516 Screening compound: 9-(3-methoxyphenyl)-1,7-dimethyl-3-(3-phenylpropyl)-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 D389-0516
9-(3-methoxyphenyl)-1,7-dimethyl-3-(3-phenylpropyl)-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

D389-0516

Molecular Formula

C26H29N5O3 (C26 H29 N5 O3)

Compound Name

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

IUPAC name

9-(3-methoxyphenyl)-17-dimethyl-3-(3-phenylpropyl)-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

CC(Cn1c2nc(N(C)C(N3CCCc4ccccc4)=O)c1C3=O)CN2c1cc(OC)ccc1

InChI

InChI=1S/C26H29N5O3/c1-18-16-30(20-12-7-13-21(15-20)34-3)25-27-23-22(31(25)17-18)24(32)29(26(33)28(23)2)14-8-11-19-9-5-4-6-10-19/h4-7,9-10,12-13,15,18H,8,11,14,16-17H2,1-3H3/t18-/m0/s1

InChI Key

HIULKRNFWPXTTH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04196766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.249

Distribution Coefficient, logD

5.249

Water Solubility, LogSw

-4.99

Polar Surface Area

52.172

Acid Dissociation Constant (pKa)

21.95

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

D389-0516 in Drug Discovery

Included in Screening Libraries

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

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 D389-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0516?
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What is the minimum amount of D389-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0516
  • 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 D389-0516 available by request