D389-0834 Screening compound: methyl 2-[1-methyl-2,4-dioxo-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate

D389-0834 Screening compound: methyl 2-[1-methyl-2,4-dioxo-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate
D389-0834 Screening compound: methyl 2-[1-methyl-2,4-dioxo-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D389-0834
methyl 2-[1-methyl-2,4-dioxo-9-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate

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

D389-0834

Molecular Formula

C20H23N5O4 (C20 H23 N5 O4)

Compound Name

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

IUPAC name

methyl 2-[1-methyl-24-dioxo-9-(2-phenylethyl)-1H2H3H4H6H7H8H9H-pyrimido[12-g]purin-3-yl]acetate

SMILES

CN(c1c(C(N2CC(OC)=O)=O)n(CCCN3CCc4ccccc4)c3n1)C2=O

InChI

InChI=1S/C20H23N5O4/c1-22-17-16(18(27)25(20(22)28)13-15(26)29-2)24-11-6-10-23(19(24)21-17)12-9-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3

InChI Key

KSXWHDLTHLTOFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05695966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.001

Distribution Coefficient, logD

2.000

Water Solubility, LogSw

-2.22

Polar Surface Area

66.057

Acid Dissociation Constant (pKa)

21.37

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D389-0834 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D389-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0834?
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What is the minimum amount of D389-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0834
  • 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 D389-0834 available by request