4300-0781 Screening compound: 2,8-dimethyl-3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)quinolin-4-ol

4300-0781 Screening compound: 2,8-dimethyl-3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)quinolin-4-ol
4300-0781 Screening compound: 2,8-dimethyl-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 4300-0781
2,8-dimethyl-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

4300-0781

Molecular Formula

C22H30N2O (C22 H30 N2 O)

Compound Name

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

IUPAC name

28-dimethyl-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)cccc22)c2O)C1

InChI

InChI=1S/C22H30N2O/c1-14-7-6-8-17-19(14)23-15(2)18(20(17)25)11-24-13-22(5)10-16(24)9-21(3,4)12-22/h6-8,16H,9-13H2,1-5H3,(H,23,25)

InChI Key

KLCRMNQOYHEXNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.49

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

4.763

Distribution Coefficient, logD

4.174

Water Solubility, LogSw

-4.61

Polar Surface Area

28.980

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.10

4300-0781 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4300-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0781?
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What is the minimum amount of 4300-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0781
  • 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 4300-0781 available by request