D389-0406 Screening compound: 3-(3-hydroxypropyl)-1,7-dimethyl-9-(4-methylphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-0406 Screening compound: 3-(3-hydroxypropyl)-1,7-dimethyl-9-(4-methylphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-0406 Screening compound: 3-(3-hydroxypropyl)-1,7-dimethyl-9-(4-methylphenyl)-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 D389-0406
3-(3-hydroxypropyl)-1,7-dimethyl-9-(4-methylphenyl)-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

D389-0406

Molecular Formula

C20H25N5O3 (C20 H25 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(Cn1c2nc(N(C)C(N3CCCO)=O)c1C3=O)CN2c1ccc(C)cc1

InChI

InChI=1S/C20H25N5O3/c1-13-5-7-15(8-6-13)24-11-14(2)12-25-16-17(21-19(24)25)22(3)20(28)23(18(16)27)9-4-10-26/h5-8,14,26H,4,9-12H2,1-3H3/t14-/m0/s1

InChI Key

OAMBQEOYXJYXPW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04171876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.773

Distribution Coefficient, logD

2.773

Water Solubility, LogSw

-2.82

Polar Surface Area

61.555

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

D389-0406 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D389-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0406?
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What is the minimum amount of D389-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0406
  • 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 D389-0406 available by request