4491-0973 Screening compound: butyl 4-[(2-methylquinolin-4-yl)amino]benzoate

4491-0973 Screening compound: butyl 4-[(2-methylquinolin-4-yl)amino]benzoate
4491-0973 Screening compound: butyl 4-[(2-methylquinolin-4-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-0973
butyl 4-[(2-methylquinolin-4-yl)amino]benzoate

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

4491-0973

Molecular Formula

C21H22N2O2 (C21 H22 N2 O2)

Compound Name

butyl 4-[(2-methylquinolin-4-yl)amino]benzoate

IUPAC name

butyl 4-[(2-methylquinolin-4-yl)amino]benzoate

SMILES

CCCCOC(c(cc1)ccc1Nc1cc(C)nc2ccccc12)=O

InChI

InChI=1S/C21H22N2O2/c1-3-4-13-25-21(24)16-9-11-17(12-10-16)23-20-14-15(2)22-19-8-6-5-7-18(19)20/h5-12,14H,3-4,13H2,1-2H3,(H,22,23)

InChI Key

MUOOMCIFXNCBQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02943326

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.006

Distribution Coefficient, logD

5.175

Water Solubility, LogSw

-5.64

Polar Surface Area

37.638

Acid Dissociation Constant (pKa)

17.63

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4491-0973 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4491-0973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-0973?
Check Price and Availability of 4491-0973, 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 4491-0973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-0973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0973
  • 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 4491-0973 available by request