C098-0635 Screening compound: ethyl 2-[(3-methylbenzoyl)imino]-5-oxo-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

C098-0635 Screening compound: ethyl 2-[(3-methylbenzoyl)imino]-5-oxo-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
C098-0635 Screening compound: ethyl 2-[(3-methylbenzoyl)imino]-5-oxo-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C098-0635
ethyl 2-[(3-methylbenzoyl)imino]-5-oxo-1-(tetrahydro-2-furanylmethyl)-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

C098-0635

Molecular Formula

C27H26N4O5 (C27 H26 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(/C(/N1CC2OCCC2)=N/C(c2cc(C)ccc2)=O)=CC2=C1N=C(C=CC=C1)N1C2=O)=O

InChI

InChI=1S/C27H26N4O5/c1-3-35-27(34)21-15-20-23(28-22-11-4-5-12-30(22)26(20)33)31(16-19-10-7-13-36-19)24(21)29-25(32)18-9-6-8-17(2)14-18/h4-6,8-9,11-12,14-15,19H,3,7,10,13,16H2,1-2H3/t19-/m1/s1

InChI Key

YKMROHNVACUVBR-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04414210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

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

2.419

Distribution Coefficient, logD

2.419

Water Solubility, LogSw

-2.44

Polar Surface Area

78.349

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

C098-0635 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C098-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C098-0635?
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What is the minimum amount of C098-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C098-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C098-0635
  • 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 C098-0635 available by request