C098-0464 Screening compound: ethyl 2-[(3,5-dimethoxybenzoyl)imino]-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

C098-0464 Screening compound: ethyl 2-[(3,5-dimethoxybenzoyl)imino]-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
C098-0464 Screening compound: ethyl 2-[(3,5-dimethoxybenzoyl)imino]-1-(3-methoxypropyl)-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 C098-0464
ethyl 2-[(3,5-dimethoxybenzoyl)imino]-1-(3-methoxypropyl)-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

C098-0464

Molecular Formula

C27H28N4O7 (C27 H28 N4 O7)

Compound Name

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

IUPAC name

ethyl (6Z)-6-[(35-dimethoxybenzoyl)imino]-7-(3-methoxypropyl)-2-oxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxylate

SMILES

CCOC(C(/C(/N1CCCOC)=N/C(c2cc(OC)cc(OC)c2)=O)=CC2=C1N=C(C=CC=C1)N1C2=O)=O

InChI

InChI=1S/C27H28N4O7/c1-5-38-27(34)21-16-20-23(28-22-9-6-7-10-30(22)26(20)33)31(11-8-12-35-2)24(21)29-25(32)17-13-18(36-3)15-19(14-17)37-4/h6-7,9-10,13-16H,5,8,11-12H2,1-4H3

InChI Key

SPHBDHJBRVDDSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.481

Distribution Coefficient, logD

2.481

Water Solubility, LogSw

-2.47

Polar Surface Area

93.374

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with C098-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C098-0464
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C098-0464
  • 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 C098-0464 available by request