C098-0361 Screening compound: ethyl 1-(2-methoxyethyl)-2-[(4-nitrobenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

C098-0361 Screening compound: ethyl 1-(2-methoxyethyl)-2-[(4-nitrobenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
C098-0361 Screening compound: ethyl 1-(2-methoxyethyl)-2-[(4-nitrobenzoyl)imino]-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 C098-0361
ethyl 1-(2-methoxyethyl)-2-[(4-nitrobenzoyl)imino]-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

C098-0361

Molecular Formula

C24H21N5O7 (C24 H21 N5 O7)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(/C(/N1CCOC)=N/C(c(cc2)ccc2[N+]([O-])=O)=O)=CC2=C1N=C(C=CC=C1)N1C2=O)=O

InChI

InChI=1S/C24H21N5O7/c1-3-36-24(32)18-14-17-20(25-19-6-4-5-11-27(19)23(17)31)28(12-13-35-2)21(18)26-22(30)15-7-9-16(10-8-15)29(33)34/h4-11,14H,3,12-13H2,1-2H3

InChI Key

GLLHZTYWMTXMIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.46

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.834

Distribution Coefficient, logD

1.834

Water Solubility, LogSw

-2.08

Polar Surface Area

111.668

Acid Dissociation Constant (pKa)

29.39

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with C098-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C098-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C098-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C098-0361
  • 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 C098-0361 available by request