4477-1395 Screening compound: ethyl 2-[2-methyl-4-(phenylamino)-1,2,3,4-tetrahydroquinolin-1-yl]-2-oxoacetate

4477-1395 Screening compound: ethyl 2-[2-methyl-4-(phenylamino)-1,2,3,4-tetrahydroquinolin-1-yl]-2-oxoacetate
4477-1395 Screening compound: ethyl 2-[2-methyl-4-(phenylamino)-1,2,3,4-tetrahydroquinolin-1-yl]-2-oxoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1395
ethyl 2-[2-methyl-4-(phenylamino)-1,2,3,4-tetrahydroquinolin-1-yl]-2-oxoacetate

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

4477-1395

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

ethyl 2-[2-methyl-4-(phenylamino)-1,2,3,4-tetrahydroquinolin-1-yl]-2-oxoacetate

IUPAC name

ethyl 2-[2-methyl-4-(phenylamino)-1234-tetrahydroquinolin-1-yl]-2-oxoacetate

SMILES

CCOC(C(N(C(C)CC1Nc2ccccc2)c2c1cccc2)=O)=O

InChI

InChI=1S/C20H22N2O3/c1-3-25-20(24)19(23)22-14(2)13-17(16-11-7-8-12-18(16)22)21-15-9-5-4-6-10-15/h4-12,14,17,21H,3,13H2,1-2H3

InChI Key

QKEGVMIPPNNWJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-3.65

Polar Surface Area

45.673

Acid Dissociation Constant (pKa)

18.01

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

4477-1395 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4477-1395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1395?
Check Price and Availability of 4477-1395, 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 4477-1395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1395
  • 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 4477-1395 available by request