C098-0205 Screening compound: ethyl 2-[(5-bromo-2-chlorobenzoyl)imino]-1-isopropyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

C098-0205 Screening compound: ethyl 2-[(5-bromo-2-chlorobenzoyl)imino]-1-isopropyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
C098-0205 Screening compound: ethyl 2-[(5-bromo-2-chlorobenzoyl)imino]-1-isopropyl-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 C098-0205
ethyl 2-[(5-bromo-2-chlorobenzoyl)imino]-1-isopropyl-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

C098-0205

Molecular Formula

C24H20BrClN4O4 (C24 H20 BrClN4 O4)

Compound Name

ethyl 2-[(5-bromo-2-chlorobenzoyl)imino]-1-isopropyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

IUPAC name

ethyl (6Z)-6-[(5-bromo-2-chlorobenzoyl)imino]-2-oxo-7-(propan-2-yl)-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxylate

SMILES

CCOC(C(/C(/N1C(C)C)=N/C(c(cc(cc2)Br)c2Cl)=O)=CC2=C1N=C(C=CC=C1)N1C2=O)=O

InChI

InChI=1S/C24H20BrClN4O4/c1-4-34-24(33)17-12-16-20(27-19-7-5-6-10-29(19)23(16)32)30(13(2)3)21(17)28-22(31)15-11-14(25)8-9-18(15)26/h5-13H,4H2,1-3H3

InChI Key

FMIOBNMMCHOADW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04413909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.205

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.51

Polar Surface Area

69.687

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with C098-0205 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 C098-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C098-0205
  • 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 C098-0205 available by request