D389-1154 Screening compound: 9-(2,4-dimethylphenyl)-3-(3-hydroxypropyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-1154 Screening compound: 9-(2,4-dimethylphenyl)-3-(3-hydroxypropyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-1154 Screening compound: 9-(2,4-dimethylphenyl)-3-(3-hydroxypropyl)-1-methyl-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 D389-1154
9-(2,4-dimethylphenyl)-3-(3-hydroxypropyl)-1-methyl-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

D389-1154

Molecular Formula

C20H25N5O3 (C20 H25 N5 O3)

Compound Name

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

IUPAC name

9-(24-dimethylphenyl)-3-(3-hydroxypropyl)-1-methyl-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

Cc(cc1)cc(C)c1N1c2nc(N(C)C(N(CCCO)C3=O)=O)c3n2CCC1

InChI

InChI=1S/C20H25N5O3/c1-13-6-7-15(14(2)12-13)23-8-4-9-24-16-17(21-19(23)24)22(3)20(28)25(18(16)27)10-5-11-26/h6-7,12,26H,4-5,8-11H2,1-3H3

InChI Key

UJJJQQFGFKKHOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08365170

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

2.982

Distribution Coefficient, logD

2.982

Water Solubility, LogSw

-2.95

Polar Surface Area

61.387

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

D389-1154 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 D389-1154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-1154?
Check Price and Availability of D389-1154, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D389-1154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-1154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-1154
  • 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 D389-1154 available by request