4358-4545 Screening compound: 2,6,8-trimethyl-3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)quinolin-4-ol

4358-4545 Screening compound: 2,6,8-trimethyl-3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)quinolin-4-ol
4358-4545 Screening compound: 2,6,8-trimethyl-3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)quinolin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-4545
2,6,8-trimethyl-3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)quinolin-4-ol

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

4358-4545

Molecular Formula

C23H32N2O (C23 H32 N2 O)

Compound Name

2,6,8-trimethyl-3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)quinolin-4-ol

IUPAC name

268-trimethyl-3-({133-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)quinolin-4-ol

SMILES

CC1(C2)CC(C)(C)CC2N(Cc(c(C)nc2c(C)cc(C)cc22)c2O)C1

InChI

InChI=1S/C23H32N2O/c1-14-7-15(2)20-18(8-14)21(26)19(16(3)24-20)11-25-13-23(6)10-17(25)9-22(4,5)12-23/h7-8,17H,9-13H2,1-6H3,(H,24,26)

InChI Key

TZXFIAVQRGFFJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02369073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.385

Distribution Coefficient, logD

4.795

Water Solubility, LogSw

-5.48

Polar Surface Area

28.980

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.90

4358-4545 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 4358-4545 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4358-4545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-4545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-4545
  • 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 4358-4545 available by request