8014-9481 Screening compound: 1-benzyl-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione

8014-9481 Screening compound: 1-benzyl-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
8014-9481 Screening compound: 1-benzyl-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9481
1-benzyl-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-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

8014-9481

Molecular Formula

C27H27N3O5 (C27 H27 N3 O5)

Compound Name

1-benzyl-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione

IUPAC name

1-benzyl-5-(4-hydroxy-3-methoxyphenyl)-88-dimethyl-1H2H3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-246-trione

SMILES

CC(C)(C1)CC(NC(N(Cc2ccccc2)C(N2)=O)=C(C3c(cc4)cc(OC)c4O)C2=O)=C3C1=O

InChI

InChI=1S/C27H27N3O5/c1-27(2)12-17-22(19(32)13-27)21(16-9-10-18(31)20(11-16)35-3)23-24(28-17)30(26(34)29-25(23)33)14-15-7-5-4-6-8-15/h4-11,21,28,31H,12-14H2,1-3H3,(H,29,33,34)/t21-/m1/s1

InChI Key

GCJIGMCXSBONMD-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03821159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.262

Distribution Coefficient, logD

1.684

Water Solubility, LogSw

-3.37

Polar Surface Area

88.415

Acid Dissociation Constant (pKa)

5.83

Base Dissociation Constant (pKb)

-9.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.63

8014-9481 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8014-9481 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8014-9481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9481
  • 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 8014-9481 available by request