4060-0072 Screening compound: 1-(3-methoxybenzoyl)-2,2,4,7-tetramethyl-4-phenyl-1,2,3,4-tetrahydroquinoline

4060-0072 Screening compound: 1-(3-methoxybenzoyl)-2,2,4,7-tetramethyl-4-phenyl-1,2,3,4-tetrahydroquinoline
4060-0072 Screening compound: 1-(3-methoxybenzoyl)-2,2,4,7-tetramethyl-4-phenyl-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4060-0072
1-(3-methoxybenzoyl)-2,2,4,7-tetramethyl-4-phenyl-1,2,3,4-tetrahydroquinoline

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

4060-0072

Molecular Formula

C27H29NO2 (C27 H29 NO2)

Compound Name

1-(3-methoxybenzoyl)-2,2,4,7-tetramethyl-4-phenyl-1,2,3,4-tetrahydroquinoline

IUPAC name

1-(3-methoxybenzoyl)-2247-tetramethyl-4-phenyl-1234-tetrahydroquinoline

SMILES

CC(C)(CC1(C)c2ccccc2)N(C(c2cc(OC)ccc2)=O)c2c1ccc(C)c2

InChI

InChI=1S/C27H29NO2/c1-19-14-15-23-24(16-19)28(25(29)20-10-9-13-22(17-20)30-5)26(2,3)18-27(23,4)21-11-7-6-8-12-21/h6-17H,18H2,1-5H3/t27-/m0/s1

InChI Key

FCWQCHKLBRKCFP-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02242518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.976

Distribution Coefficient, logD

5.976

Water Solubility, LogSw

-5.62

Polar Surface Area

21.596

Acid Dissociation Constant (pKa)

27.07

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

4060-0072 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4060-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4060-0072?
Check Price and Availability of 4060-0072, 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 4060-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4060-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4060-0072
  • 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 4060-0072 available by request