6177-0422 Screening compound: 6-(2-methoxyphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid

6177-0422 Screening compound: 6-(2-methoxyphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid
6177-0422 Screening compound: 6-(2-methoxyphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6177-0422
6-(2-methoxyphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid

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

6177-0422

Molecular Formula

C22H23NO3 (C22 H23 NO3)

Compound Name

6-(2-methoxyphenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-4-carboxylic acid

IUPAC name

10-(2-methoxyphenyl)-9-azatetracyclo[10.2.1.0^{211}.0^{38}]pentadeca-357-triene-7-carboxylic acid

SMILES

COc1c(C(C(C2CC3CC2)C3c2ccc3)Nc2c3C(O)=O)cccc1

InChI

InChI=1S/C22H23NO3/c1-26-17-8-3-2-5-14(17)21-19-13-10-9-12(11-13)18(19)15-6-4-7-16(22(24)25)20(15)23-21/h2-8,12-13,18-19,21,23H,9-11H2,1H3,(H,24,25)

InChI Key

CNVSMRIFPOSVDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03712382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.420

Distribution Coefficient, logD

1.952

Water Solubility, LogSw

-4.40

Polar Surface Area

46.395

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

40.90

6177-0422 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6177-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6177-0422?
Check Price and Availability of 6177-0422, 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 6177-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6177-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6177-0422
  • 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 6177-0422 available by request