C098-0708 Screening compound: ethyl 5-oxo-1-propyl-2-[(3-pyridylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

C098-0708 Screening compound: ethyl 5-oxo-1-propyl-2-[(3-pyridylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
C098-0708 Screening compound: ethyl 5-oxo-1-propyl-2-[(3-pyridylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C098-0708
ethyl 5-oxo-1-propyl-2-[(3-pyridylcarbonyl)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

C098-0708

Molecular Formula

C23H21N5O4 (C23 H21 N5 O4)

Compound Name

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

IUPAC name

ethyl (6E)-2-oxo-7-propyl-6-[(pyridine-3-carbonyl)imino]-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxylate

SMILES

CCCN(/C(/C(C(OCC)=O)=C1)=N/C(c2cnccc2)=O)C(N=C2N3C=CC=C2)=C1C3=O

InChI

InChI=1S/C23H21N5O4/c1-3-11-28-19-16(22(30)27-12-6-5-9-18(27)25-19)13-17(23(31)32-4-2)20(28)26-21(29)15-8-7-10-24-14-15/h5-10,12-14H,3-4,11H2,1-2H3

InChI Key

NVUYZWVSOBOUGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.584

Distribution Coefficient, logD

1.584

Water Solubility, LogSw

-1.06

Polar Surface Area

79.462

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C098-0708 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C098-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C098-0708?
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What is the minimum amount of C098-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C098-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C098-0708
  • 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 C098-0708 available by request