D718-1458 Screening compound: ethyl 4-[3-(4-fluorophenyl)-2-methyl-6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]benzoate

D718-1458 Screening compound: ethyl 4-[3-(4-fluorophenyl)-2-methyl-6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]benzoate
D718-1458 Screening compound: ethyl 4-[3-(4-fluorophenyl)-2-methyl-6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1458
ethyl 4-[3-(4-fluorophenyl)-2-methyl-6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-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

D718-1458

Molecular Formula

C25H19FN4O3 (C25 H19 FN4 O3)

Compound Name

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

IUPAC name

ethyl 4-[5-(4-fluorophenyl)-4-methyl-10-oxo-23711-tetraazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-11-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C=Cc(n1nc2C)c3cnc1c2-c(cc1)ccc1F)C3=O)=O

InChI

InChI=1S/C25H19FN4O3/c1-3-33-25(32)17-6-10-19(11-7-17)29-13-12-21-20(24(29)31)14-27-23-22(15(2)28-30(21)23)16-4-8-18(26)9-5-16/h4-14H,3H2,1-2H3

InChI Key

VBDXUXJAHBQFME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11083249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.871

Distribution Coefficient, logD

3.871

Water Solubility, LogSw

-4.34

Polar Surface Area

58.313

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D718-1458 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with D718-1458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1458?
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What is the minimum amount of D718-1458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1458
  • 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 D718-1458 available by request