C098-0325 Screening compound: ethyl 1-isobutyl-2-[(4-methyl-3-nitrobenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

C098-0325 Screening compound: ethyl 1-isobutyl-2-[(4-methyl-3-nitrobenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
C098-0325 Screening compound: ethyl 1-isobutyl-2-[(4-methyl-3-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 C098-0325
ethyl 1-isobutyl-2-[(4-methyl-3-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

C098-0325

Molecular Formula

C26H25N5O6 (C26 H25 N5 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(/C(/N1CC(C)C)=N/C(c2cc([N+]([O-])=O)c(C)cc2)=O)=CC2=C1N=C(C=CC=C1)N1C2=O)=O

InChI

InChI=1S/C26H25N5O6/c1-5-37-26(34)19-13-18-22(27-21-8-6-7-11-29(21)25(18)33)30(14-15(2)3)23(19)28-24(32)17-10-9-16(4)20(12-17)31(35)36/h6-13,15H,5,14H2,1-4H3

InChI Key

YRGWEYBMBFYNGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04413995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

3.593

Water Solubility, LogSw

-3.87

Polar Surface Area

103.047

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with C098-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C098-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C098-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C098-0325
  • 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 C098-0325 available by request