D389-0836 Screening compound: benzyl 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

D389-0836 Screening compound: benzyl 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
D389-0836 Screening compound: benzyl 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 D389-0836
benzyl 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

D389-0836

Molecular Formula

C26H27N5O4 (C26 H27 N5 O4)

Compound Name

benzyl 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

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

SMILES

CN(c1c(C(N2CC(OCc3ccccc3)=O)=O)n(CCCN3CCc4ccccc4)c3n1)C2=O

InChI

InChI=1S/C26H27N5O4/c1-28-23-22(24(33)31(26(28)34)17-21(32)35-18-20-11-6-3-7-12-20)30-15-8-14-29(25(30)27-23)16-13-19-9-4-2-5-10-19/h2-7,9-12H,8,13-18H2,1H3

InChI Key

IBPPQYMIXYFTDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05706301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.805

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-3.92

Polar Surface Area

65.741

Acid Dissociation Constant (pKa)

21.37

Base Dissociation Constant (pKb)

4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D389-0836 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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 D389-0836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0836?
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What is the minimum amount of D389-0836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0836
  • 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 D389-0836 available by request