4065-0086 Screening compound: 5-(4-methoxyphenyl)-8,8-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

4065-0086 Screening compound: 5-(4-methoxyphenyl)-8,8-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione
4065-0086 Screening compound: 5-(4-methoxyphenyl)-8,8-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 4065-0086
5-(4-methoxyphenyl)-8,8-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

4065-0086

Molecular Formula

C20H21N3O4 (C20 H21 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(NC(NC(N2)=O)=C(C3c(cc4)ccc4OC)C2=O)=C3C1=O

InChI

InChI=1S/C20H21N3O4/c1-20(2)8-12-15(13(24)9-20)14(10-4-6-11(27-3)7-5-10)16-17(21-12)22-19(26)23-18(16)25/h4-7,14H,8-9H2,1-3H3,(H3,21,22,23,25,26)/t14-/m1/s1

InChI Key

IBEHWIJZTXNDPW-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00520532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.772

Distribution Coefficient, logD

-0.246

Water Solubility, LogSw

-2.15

Polar Surface Area

79.514

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

-8.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

4065-0086 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4065-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4065-0086?
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What is the minimum amount of 4065-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4065-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4065-0086
  • 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 4065-0086 available by request