D389-1118 Screening compound: ethyl 2-[9-(2,3-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate

D389-1118 Screening compound: ethyl 2-[9-(2,3-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate
D389-1118 Screening compound: ethyl 2-[9-(2,3-dimethylphenyl)-1-methyl-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 D389-1118
ethyl 2-[9-(2,3-dimethylphenyl)-1-methyl-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

D389-1118

Molecular Formula

C21H25N5O4 (C21 H25 N5 O4)

Compound Name

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

IUPAC name

ethyl 2-[9-(23-dimethylphenyl)-1-methyl-24-dioxo-1H2H3H4H6H7H8H9H-pyrimido[12-g]purin-3-yl]acetate

SMILES

CCOC(CN(C(c(n1CCC2)c(N3C)nc1N2c1c(C)c(C)ccc1)=O)C3=O)=O

InChI

InChI=1S/C21H25N5O4/c1-5-30-16(27)12-26-19(28)17-18(23(4)21(26)29)22-20-24(10-7-11-25(17)20)15-9-6-8-13(2)14(15)3/h6,8-9H,5,7,10-12H2,1-4H3

InChI Key

VQEDVNSWBRHLDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08365138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

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

3.275

Distribution Coefficient, logD

3.271

Water Solubility, LogSw

-3.29

Polar Surface Area

64.912

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with D389-1118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-1118?
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What is the minimum amount of D389-1118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-1118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-1118
  • 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 D389-1118 available by request