D718-1544 Screening compound: 2-ethyl-3-(4-methoxyphenyl)-7-(2-pyridyl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one

D718-1544 Screening compound: 2-ethyl-3-(4-methoxyphenyl)-7-(2-pyridyl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one
D718-1544 Screening compound: 2-ethyl-3-(4-methoxyphenyl)-7-(2-pyridyl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1544
2-ethyl-3-(4-methoxyphenyl)-7-(2-pyridyl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one

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

D718-1544

Molecular Formula

C23H19N5O2 (C23 H19 N5 O2)

Compound Name

2-ethyl-3-(4-methoxyphenyl)-7-(2-pyridyl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one

IUPAC name

4-ethyl-5-(4-methoxyphenyl)-11-(pyridin-2-yl)-23711-tetraazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

CCc(c(-c(cc1)ccc1OC)c1nc2)nn1c(C=CN1c3ncccc3)c2C1=O

InChI

InChI=1S/C23H19N5O2/c1-3-18-21(15-7-9-16(30-2)10-8-15)22-25-14-17-19(28(22)26-18)11-13-27(23(17)29)20-6-4-5-12-24-20/h4-14H,3H2,1-2H3

InChI Key

XDHXFAYMMNQFIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11855715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.412

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-3.58

Polar Surface Area

54.303

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D718-1544 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D718-1544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1544?
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What is the minimum amount of D718-1544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1544
  • 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 D718-1544 available by request