C098-0724 Screening compound: ethyl 1-butyl-5-oxo-2-{[4-(trifluoromethyl)benzoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

C098-0724 Screening compound: ethyl 1-butyl-5-oxo-2-{[4-(trifluoromethyl)benzoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
C098-0724 Screening compound: ethyl 1-butyl-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 C098-0724
ethyl 1-butyl-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

C098-0724

Molecular Formula

C26H23F3N4O4 (C26 H23 F3 N4 O4)

Compound Name

ethyl 1-butyl-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-butyl-2-oxo-6-{[4-(trifluoromethyl)benzoyl]imino}-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxylate

SMILES

CCCCN(/C(/C(C(OCC)=O)=C1)=N/C(c2ccc(C(F)(F)F)cc2)=O)C(N=C2N3C=CC=C2)=C1C3=O

InChI

InChI=1S/C26H23F3N4O4/c1-3-5-13-33-21-18(24(35)32-14-7-6-8-20(32)30-21)15-19(25(36)37-4-2)22(33)31-23(34)16-9-11-17(12-10-16)26(27,28)29/h6-12,14-15H,3-5,13H2,1-2H3

InChI Key

ZKKWQRQCSDOXGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.223

Water Solubility, LogSw

-4.03

Polar Surface Area

69.944

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with C098-0724 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C098-0724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C098-0724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C098-0724
  • 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 C098-0724 available by request