3456-1873 Screening compound: N-[2-methyl-1-(2-methylbutanoyl)-1,2,3,4-tetrahydroquinolin-4-yl]-2-phenoxy-N-phenylacetamide

3456-1873 Screening compound: N-[2-methyl-1-(2-methylbutanoyl)-1,2,3,4-tetrahydroquinolin-4-yl]-2-phenoxy-N-phenylacetamide
3456-1873 Screening compound: N-[2-methyl-1-(2-methylbutanoyl)-1,2,3,4-tetrahydroquinolin-4-yl]-2-phenoxy-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-1873
N-[2-methyl-1-(2-methylbutanoyl)-1,2,3,4-tetrahydroquinolin-4-yl]-2-phenoxy-N-phenylacetamide

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

3456-1873

Molecular Formula

C29H32N2O3 (C29 H32 N2 O3)

Compound Name

N-[2-methyl-1-(2-methylbutanoyl)-1,2,3,4-tetrahydroquinolin-4-yl]-2-phenoxy-N-phenylacetamide

IUPAC name

N-[2-methyl-1-(2-methylbutanoyl)-1234-tetrahydroquinolin-4-yl]-2-phenoxy-N-phenylacetamide

SMILES

CCC(C)C(N(C(C)CC1N(C(COc2ccccc2)=O)c2ccccc2)c2c1cccc2)=O

InChI

InChI=1S/C29H32N2O3/c1-4-21(2)29(33)30-22(3)19-27(25-17-11-12-18-26(25)30)31(23-13-7-5-8-14-23)28(32)20-34-24-15-9-6-10-16-24/h5-18,21-22,27H,4,19-20H2,1-3H3

InChI Key

STCHVDZRUSRENI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01948658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.324

Distribution Coefficient, logD

5.324

Water Solubility, LogSw

-5.29

Polar Surface Area

35.710

Acid Dissociation Constant (pKa)

22.27

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

31.00

3456-1873 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3456-1873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-1873?
Check Price and Availability of 3456-1873, 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 3456-1873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-1873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-1873
  • 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 3456-1873 available by request