D389-0176 Screening compound: 9-(3-methoxyphenyl)-1-methyl-3-(2-oxo-2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione

D389-0176 Screening compound: 9-(3-methoxyphenyl)-1-methyl-3-(2-oxo-2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
D389-0176 Screening compound: 9-(3-methoxyphenyl)-1-methyl-3-(2-oxo-2-phenylethyl)-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 D389-0176
9-(3-methoxyphenyl)-1-methyl-3-(2-oxo-2-phenylethyl)-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

D389-0176

Molecular Formula

C24H23N5O4 (C24 H23 N5 O4)

Compound Name

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

IUPAC name

9-(3-methoxyphenyl)-1-methyl-3-(2-oxo-2-phenylethyl)-1H2H3H4H6H7H8H9H-pyrimido[12-g]purine-24-dione

SMILES

CN(c1c(C(N2CC(c3ccccc3)=O)=O)n(CCCN3c4cc(OC)ccc4)c3n1)C2=O

InChI

InChI=1S/C24H23N5O4/c1-26-21-20(22(31)29(24(26)32)15-19(30)16-8-4-3-5-9-16)28-13-7-12-27(23(28)25-21)17-10-6-11-18(14-17)33-2/h3-6,8-11,14H,7,12-13,15H2,1-2H3

InChI Key

XEILPSRJBCHDLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04180791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.335

Distribution Coefficient, logD

3.334

Water Solubility, LogSw

-3.72

Polar Surface Area

65.573

Acid Dissociation Constant (pKa)

19.80

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D389-0176 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D389-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0176?
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What is the minimum amount of D389-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0176
  • 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 D389-0176 available by request