5223-1372 Screening compound: 5-[4-(benzyloxy)phenyl]-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

5223-1372 Screening compound: 5-[4-(benzyloxy)phenyl]-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione
5223-1372 Screening compound: 5-[4-(benzyloxy)phenyl]-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5223-1372
5-[4-(benzyloxy)phenyl]-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

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

5223-1372

Molecular Formula

C26H25N3O4 (C26 H25 N3 O4)

Compound Name

5-[4-(benzyloxy)phenyl]-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

IUPAC name

5-[4-(benzyloxy)phenyl]-13-dimethyl-1H2H3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-246-trione

SMILES

CN(C(C(C(c(cc1)ccc1OCc1ccccc1)C(C(CCC1)=O)=C1N1)=C1N1C)=O)C1=O

InChI

InChI=1S/C26H25N3O4/c1-28-24-23(25(31)29(2)26(28)32)21(22-19(27-24)9-6-10-20(22)30)17-11-13-18(14-12-17)33-15-16-7-4-3-5-8-16/h3-5,7-8,11-14,21,27H,6,9-10,15H2,1-2H3/t21-/m1/s1

InChI Key

QTNVHQKPXWIPNU-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03133229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

1.579

Water Solubility, LogSw

-3.91

Polar Surface Area

62.587

Acid Dissociation Constant (pKa)

5.42

Base Dissociation Constant (pKb)

-7.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 5223-1372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5223-1372?
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What is the minimum amount of 5223-1372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5223-1372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5223-1372
  • 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 5223-1372 available by request