6404-0131 Screening compound: 5-[4-(hexyloxy)-3-methoxyphenyl]-8,8-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione

6404-0131 Screening compound: 5-[4-(hexyloxy)-3-methoxyphenyl]-8,8-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2,4,6-trione
6404-0131 Screening compound: 5-[4-(hexyloxy)-3-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 6404-0131
5-[4-(hexyloxy)-3-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

6404-0131

Molecular Formula

C26H33N3O5 (C26 H33 N3 O5)

Compound Name

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

SMILES

CCCCCCOc(ccc(C(C(C(CC(C)(C)C1)=O)=C1N1)C(C(N2)=O)=C1NC2=O)c1)c1OC

InChI

InChI=1S/C26H33N3O5/c1-5-6-7-8-11-34-18-10-9-15(12-19(18)33-4)20-21-16(13-26(2,3)14-17(21)30)27-23-22(20)24(31)29-25(32)28-23/h9-10,12,20H,5-8,11,13-14H2,1-4H3,(H3,27,28,29,31,32)/t20-/m1/s1

InChI Key

OHEVWUIETJPJHX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD05257005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

1.968

Water Solubility, LogSw

-4.09

Polar Surface Area

87.105

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

-8.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

6404-0131 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 6404-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6404-0131?
Check Price and Availability of 6404-0131, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6404-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6404-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6404-0131
  • 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 6404-0131 available by request