C098-0608 Screening compound: ethyl 1-(2-furylmethyl)-2-[(1-naphthylcarbonyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

C098-0608 Screening compound: ethyl 1-(2-furylmethyl)-2-[(1-naphthylcarbonyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
C098-0608 Screening compound: ethyl 1-(2-furylmethyl)-2-[(1-naphthylcarbonyl)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 C098-0608
ethyl 1-(2-furylmethyl)-2-[(1-naphthylcarbonyl)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

C098-0608

Molecular Formula

C30H22N4O5 (C30 H22 N4 O5)

Compound Name

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

IUPAC name

ethyl (6Z)-7-[(furan-2-yl)methyl]-6-[(naphthalene-1-carbonyl)imino]-2-oxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxylate

SMILES

CCOC(C(/C(/N1Cc2ccco2)=N/C(c2cccc3ccccc23)=O)=CC2=C1N=C(C=CC=C1)N1C2=O)=O

InChI

InChI=1S/C30H22N4O5/c1-2-38-30(37)24-17-23-26(31-25-14-5-6-15-33(25)29(23)36)34(18-20-11-8-16-39-20)27(24)32-28(35)22-13-7-10-19-9-3-4-12-21(19)22/h3-17H,2,18H2,1H3

InChI Key

YZEMCCFRDSXFFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.53

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

3.938

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-4.02

Polar Surface Area

77.172

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C098-0608 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C098-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C098-0608?
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What is the minimum amount of C098-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C098-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C098-0608
  • 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 C098-0608 available by request