8013-5575 Screening compound: 5-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,9-trione

8013-5575 Screening compound: 5-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,9-trione
8013-5575 Screening compound: 5-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,9-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5575
5-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,9-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

8013-5575

Molecular Formula

C20H21N3O5 (C20 H21 N3 O5)

Compound Name

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

IUPAC name

5-(4-hydroxy-3-methoxyphenyl)-77-dimethyl-1H2H3H4H5H6H7H8H9H10H-pyrimido[45-b]quinoline-249-trione

SMILES

CC(C)(CC(C1c(cc2)cc(OC)c2O)=C2NC(NC(N3)=O)=C1C3=O)CC2=O

InChI

InChI=1S/C20H21N3O5/c1-20(2)7-10-14(9-4-5-11(24)13(6-9)28-3)15-17(21-16(10)12(25)8-20)22-19(27)23-18(15)26/h4-6,14,24H,7-8H2,1-3H3,(H3,21,22,23,26,27)/t14-/m0/s1

InChI Key

HIDFUKIENDIXLJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03766683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.055

Distribution Coefficient, logD

0.907

Water Solubility, LogSw

-1.99

Polar Surface Area

96.307

Acid Dissociation Constant (pKa)

7.79

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

8013-5575 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8013-5575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5575?
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What is the minimum amount of 8013-5575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5575
  • 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 8013-5575 available by request