D389-0883 Screening compound: ethyl 2-[9-(4-bromophenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate

D389-0883 Screening compound: ethyl 2-[9-(4-bromophenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate
D389-0883 Screening compound: ethyl 2-[9-(4-bromophenyl)-1,7-dimethyl-2,4-dioxo-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 D389-0883
ethyl 2-[9-(4-bromophenyl)-1,7-dimethyl-2,4-dioxo-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

D389-0883

Molecular Formula

C20H22BrN5O4 (C20 H22 BrN5 O4)

Compound Name

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

IUPAC name

ethyl 2-[9-(4-bromophenyl)-17-dimethyl-24-dioxo-1H2H3H4H6H7H8H9H-pyrimido[12-g]purin-3-yl]acetate

SMILES

CCOC(CN(C(c(n1CC(C)C2)c(N3C)nc1N2c(cc1)ccc1Br)=O)C3=O)=O

InChI

InChI=1S/C20H22BrN5O4/c1-4-30-15(27)11-26-18(28)16-17(23(3)20(26)29)22-19-24(9-12(2)10-25(16)19)14-7-5-13(21)6-8-14/h5-8,12H,4,9-11H2,1-3H3/t12-/m0/s1

InChI Key

GSPNWNICPCGGQE-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD05689545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.33

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

3.682

Distribution Coefficient, logD

3.682

Water Solubility, LogSw

-3.79

Polar Surface Area

65.080

Acid Dissociation Constant (pKa)

21.56

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D389-0883 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 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 D389-0883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0883?
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What is the minimum amount of D389-0883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0883
  • 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 D389-0883 available by request