C098-0069 Screening compound: ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}imino)-1-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

C098-0069 Screening compound: ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}imino)-1-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
C098-0069 Screening compound: ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}imino)-1-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C098-0069
ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}imino)-1-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

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

C098-0069

Molecular Formula

C26H19ClFN5O5 (C26 H19 ClFN5 O5)

Compound Name

ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}imino)-1-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

IUPAC name

ethyl (6Z)-6-{[3-(2-chloro-6-fluorophenyl)-5-methyl-12-oxazole-4-carbonyl]imino}-7-methyl-2-oxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxylate

SMILES

CCOC(C(/C(/N1C)=N/C(c2c(C)onc2-c(c(F)ccc2)c2Cl)=O)=CC2=C1N=C(C=CC=C1)N1C2=O)=O

InChI

InChI=1S/C26H19ClFN5O5/c1-4-37-26(36)15-12-14-22(29-18-10-5-6-11-33(18)25(14)35)32(3)23(15)30-24(34)19-13(2)38-31-21(19)20-16(27)8-7-9-17(20)28/h5-12H,4H2,1-3H3

InChI Key

FZHSLVFYWFJQIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04413814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.92

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.565

Distribution Coefficient, logD

2.564

Water Solubility, LogSw

-3.41

Polar Surface Area

91.692

Acid Dissociation Constant (pKa)

26.73

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C098-0069 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C098-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C098-0069?
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What is the minimum amount of C098-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C098-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C098-0069
  • 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 C098-0069 available by request