D718-1568 Screening compound: ethyl 4-[3-(4-fluorophenyl)-2-methyl-6-oxopyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-7(6H)-yl]benzoate

D718-1568 Screening compound: ethyl 4-[3-(4-fluorophenyl)-2-methyl-6-oxopyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-7(6H)-yl]benzoate
D718-1568 Screening compound: ethyl 4-[3-(4-fluorophenyl)-2-methyl-6-oxopyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-7(6H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1568
ethyl 4-[3-(4-fluorophenyl)-2-methyl-6-oxopyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-7(6H)-yl]benzoate

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

D718-1568

Molecular Formula

C24H18FN5O3 (C24 H18 FN5 O3)

Compound Name

ethyl 4-[3-(4-fluorophenyl)-2-methyl-6-oxopyrazolo[5,1-c]pyrido[4,3-e][1,2,4]triazin-7(6H)-yl]benzoate

IUPAC name

ethyl 4-[5-(4-fluorophenyl)-4-methyl-10-oxo-237811-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-11-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C=Cc(n1nc2C)c3nnc1c2-c(cc1)ccc1F)C3=O)=O

InChI

InChI=1S/C24H18FN5O3/c1-3-33-24(32)16-6-10-18(11-7-16)29-13-12-19-21(23(29)31)26-27-22-20(14(2)28-30(19)22)15-4-8-17(25)9-5-15/h4-13H,3H2,1-2H3

InChI Key

LOIVPSDXIPTCRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11082467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.513

Distribution Coefficient, logD

4.513

Water Solubility, LogSw

-4.45

Polar Surface Area

72.058

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D718-1568 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with D718-1568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1568?
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What is the minimum amount of D718-1568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1568
  • 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 D718-1568 available by request