4477-0761 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2,4-dichlorobenzoate

4477-0761 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2,4-dichlorobenzoate
4477-0761 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-0761
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2,4-dichlorobenzoate

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

4477-0761

Molecular Formula

C19H17Cl2NO2 (C19 H17 Cl2 NO2)

Compound Name

2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2,4-dichlorobenzoate

IUPAC name

224-trimethyl-12-dihydroquinolin-6-yl 24-dichlorobenzoate

SMILES

CC1(C)Nc(ccc(OC(c(ccc(Cl)c2)c2Cl)=O)c2)c2C(C)=C1

InChI

InChI=1S/C19H17Cl2NO2/c1-11-10-19(2,3)22-17-7-5-13(9-15(11)17)24-18(23)14-6-4-12(20)8-16(14)21/h4-10,22H,1-3H3

InChI Key

RGYIOQIDQUYSHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01137969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.020

Distribution Coefficient, logD

6.020

Water Solubility, LogSw

-6.19

Polar Surface Area

31.815

Acid Dissociation Constant (pKa)

18.02

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

4477-0761 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4477-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0761?
Check Price and Availability of 4477-0761, 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 4477-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0761
  • 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 4477-0761 available by request