D389-0064 Screening compound: 2-[1-methyl-9-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide

D389-0064 Screening compound: 2-[1-methyl-9-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide
D389-0064 Screening compound: 2-[1-methyl-9-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D389-0064
2-[1-methyl-9-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide

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

D389-0064

Molecular Formula

C18H20N6O3 (C18 H20 N6 O3)

Compound Name

2-[1-methyl-9-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide

IUPAC name

2-[1-methyl-9-(4-methylphenyl)-24-dioxo-1H2H3H4H6H7H8H9H-pyrimido[12-g]purin-3-yl]acetamide

SMILES

Cc(cc1)ccc1N1c2nc(N(C)C(N(CC(N)=O)C3=O)=O)c3n2CCC1

InChI

InChI=1S/C18H20N6O3/c1-11-4-6-12(7-5-11)22-8-3-9-23-14-15(20-17(22)23)21(2)18(27)24(16(14)26)10-13(19)25/h4-7H,3,8-10H2,1-2H3,(H2,19,25)

InChI Key

NOEDCWBDGYXKJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04174868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.425

Distribution Coefficient, logD

1.425

Water Solubility, LogSw

-1.99

Polar Surface Area

78.442

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D389-0064 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • 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 D389-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0064?
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What is the minimum amount of D389-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0064
  • 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 D389-0064 available by request