C098-0775 Screening compound: ethyl 2-{[3,5-bis(trifluoromethyl)benzoyl]imino}-1-(2-furylmethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

C098-0775 Screening compound: ethyl 2-{[3,5-bis(trifluoromethyl)benzoyl]imino}-1-(2-furylmethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
C098-0775 Screening compound: ethyl 2-{[3,5-bis(trifluoromethyl)benzoyl]imino}-1-(2-furylmethyl)-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 C098-0775
ethyl 2-{[3,5-bis(trifluoromethyl)benzoyl]imino}-1-(2-furylmethyl)-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

C098-0775

Molecular Formula

C28H18F6N4O5 (C28 H18 F6 N4 O5)

Compound Name

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

IUPAC name

ethyl (6E)-6-{[35-bis(trifluoromethyl)benzoyl]imino}-7-[(furan-2-yl)methyl]-2-oxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxylate

SMILES

CCOC(C(/C(/N1Cc2ccco2)=N\C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=O)=CC2=C1N=C(C=CC=C1)N1C2=O)=O

InChI

InChI=1S/C28H18F6N4O5/c1-2-42-26(41)20-13-19-22(35-21-7-3-4-8-37(21)25(19)40)38(14-18-6-5-9-43-18)23(20)36-24(39)15-10-16(27(29,30)31)12-17(11-15)28(32,33)34/h3-13H,2,14H2,1H3

InChI Key

PQNJRBOZUGZXEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

604.47

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

4.651

Distribution Coefficient, logD

4.650

Water Solubility, LogSw

-4.45

Polar Surface Area

77.443

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with C098-0775 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C098-0775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C098-0775
  • 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 C098-0775 available by request