4491-0972 Screening compound: methyl 4-[(2-methylquinolin-4-yl)amino]benzoate

4491-0972 Screening compound: methyl 4-[(2-methylquinolin-4-yl)amino]benzoate
4491-0972 Screening compound: methyl 4-[(2-methylquinolin-4-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-0972
methyl 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

4491-0972

Molecular Formula

C18H16N2O2 (C18 H16 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc2ccccc2c(Nc(cc2)ccc2C(OC)=O)c1

InChI

InChI=1S/C18H16N2O2/c1-12-11-17(15-5-3-4-6-16(15)19-12)20-14-9-7-13(8-10-14)18(21)22-2/h3-11H,1-2H3,(H,19,20)

InChI Key

FGIVPSPMBRNHEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02943325

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

292.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.511

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-4.28

Polar Surface Area

37.764

Acid Dissociation Constant (pKa)

17.63

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4491-0972 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4491-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-0972?
Check Price and Availability of 4491-0972, 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 4491-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-0972
  • 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 4491-0972 available by request