C098-0744 Screening compound: ethyl 1-(2-methoxyethyl)-5-oxo-2-{[4-(trifluoromethyl)benzoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

C098-0744 Screening compound: ethyl 1-(2-methoxyethyl)-5-oxo-2-{[4-(trifluoromethyl)benzoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
C098-0744 Screening compound: ethyl 1-(2-methoxyethyl)-5-oxo-2-{[4-(trifluoromethyl)benzoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C098-0744
ethyl 1-(2-methoxyethyl)-5-oxo-2-{[4-(trifluoromethyl)benzoyl]imino}-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

C098-0744

Molecular Formula

C25H21F3N4O5 (C25 H21 F3 N4 O5)

Compound Name

ethyl 1-(2-methoxyethyl)-5-oxo-2-{[4-(trifluoromethyl)benzoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

IUPAC name

ethyl (6E)-7-(2-methoxyethyl)-2-oxo-6-{[4-(trifluoromethyl)benzoyl]imino}-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxylate

SMILES

CCOC(C(/C(/N1CCOC)=N\C(c2ccc(C(F)(F)F)cc2)=O)=CC2=C1N=C(C=CC=C1)N1C2=O)=O

InChI

InChI=1S/C25H21F3N4O5/c1-3-37-24(35)18-14-17-20(29-19-6-4-5-11-31(19)23(17)34)32(12-13-36-2)21(18)30-22(33)15-7-9-16(10-8-15)25(26,27)28/h4-11,14H,3,12-13H2,1-2H3

InChI Key

UWWYSZCHDXXOPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.781

Distribution Coefficient, logD

2.781

Water Solubility, LogSw

-2.90

Polar Surface Area

78.287

Acid Dissociation Constant (pKa)

29.39

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C098-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C098-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C098-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C098-0744
  • 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 C098-0744 available by request