5282-0128 Screening compound: methyl 1-(2-furylmethyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

5282-0128 Screening compound: methyl 1-(2-furylmethyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
5282-0128 Screening compound: methyl 1-(2-furylmethyl)-2-imino-10-methyl-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 5282-0128
methyl 1-(2-furylmethyl)-2-imino-10-methyl-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

5282-0128

Molecular Formula

C19H16N4O4 (C19 H16 N4 O4)

Compound Name

methyl 1-(2-furylmethyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate

IUPAC name

methyl 7-[(furan-2-yl)methyl]-6-imino-11-methyl-2-oxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxylate

SMILES

CC(C1=NC(N2Cc3ccco3)=C3C=C(C(OC)=O)C2=N)=CC=CN1C3=O

InChI

InChI=1S/C19H16N4O4/c1-11-5-3-7-22-16(11)21-17-14(18(22)24)9-13(19(25)26-2)15(20)23(17)10-12-6-4-8-27-12/h3-9,20H,10H2,1-2H3

InChI Key

DDBMDXVXDKTKRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03509551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.479

Distribution Coefficient, logD

0.913

Water Solubility, LogSw

-1.85

Polar Surface Area

72.212

Acid Dissociation Constant (pKa)

34.04

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 5282-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-0128?
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What is the minimum amount of 5282-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-0128
  • 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 5282-0128 available by request