D389-0452 Screening compound: ethyl 2-[9-(4-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate

D389-0452 Screening compound: ethyl 2-[9-(4-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate
D389-0452 Screening compound: ethyl 2-[9-(4-methoxyphenyl)-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 D389-0452
ethyl 2-[9-(4-methoxyphenyl)-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

D389-0452

Molecular Formula

C21H25N5O5 (C21 H25 N5 O5)

Compound Name

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

SMILES

CCOC(CN(C(c(n1CC(C)C2)c(N3C)nc1N2c(cc1)ccc1OC)=O)C3=O)=O

InChI

InChI=1S/C21H25N5O5/c1-5-31-16(27)12-26-19(28)17-18(23(3)21(26)29)22-20-24(10-13(2)11-25(17)20)14-6-8-15(30-4)9-7-14/h6-9,13H,5,10-12H2,1-4H3/t13-/m0/s1

InChI Key

LGJMDZIMWOESRL-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04177011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.831

Distribution Coefficient, logD

2.831

Water Solubility, LogSw

-3.18

Polar Surface Area

72.624

Acid Dissociation Constant (pKa)

21.95

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with D389-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D389-0452?
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What is the minimum amount of D389-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D389-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D389-0452
  • 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 D389-0452 available by request