D389-0644 Screening compound: ethyl 2-[9-(3,5-dimethylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate

D389-0644 Screening compound: ethyl 2-[9-(3,5-dimethylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate
D389-0644 Screening compound: ethyl 2-[9-(3,5-dimethylphenyl)-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 D389-0644
ethyl 2-[9-(3,5-dimethylphenyl)-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

D389-0644

Molecular Formula

C22H27N5O4 (C22 H27 N5 O4)

Compound Name

ethyl 2-[9-(3,5-dimethylphenyl)-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-(35-dimethylphenyl)-17-dimethyl-24-dioxo-1H2H3H4H6H7H8H9H-pyrimido[12-g]purin-3-yl]acetate

SMILES

CCOC(CN(C(c(n1CC(C)C2)c(N3C)nc1N2c1cc(C)cc(C)c1)=O)C3=O)=O

InChI

InChI=1S/C22H27N5O4/c1-6-31-17(28)12-27-20(29)18-19(24(5)22(27)30)23-21-25(10-15(4)11-26(18)21)16-8-13(2)7-14(3)9-16/h7-9,15H,6,10-12H2,1-5H3/t15-/m0/s1

InChI Key

RYOURFHFWKVPNV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04180645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

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

3.834

Distribution Coefficient, logD

3.831

Water Solubility, LogSw

-3.75

Polar Surface Area

65.080

Acid Dissociation Constant (pKa)

21.95

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

D389-0644 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 D389-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0644?
Check Price and Availability of D389-0644, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D389-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0644
  • 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 D389-0644 available by request