4593-2995 Screening compound: ethyl 4-[(3-chloro-4-methylphenyl)amino]-2-methylquinoline-6-carboxylate

4593-2995 Screening compound: ethyl 4-[(3-chloro-4-methylphenyl)amino]-2-methylquinoline-6-carboxylate
4593-2995 Screening compound: ethyl 4-[(3-chloro-4-methylphenyl)amino]-2-methylquinoline-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-2995
ethyl 4-[(3-chloro-4-methylphenyl)amino]-2-methylquinoline-6-carboxylate

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

4593-2995

Molecular Formula

C20H19ClN2O2 (C20 H19 ClN2 O2)

Compound Name

ethyl 4-[(3-chloro-4-methylphenyl)amino]-2-methylquinoline-6-carboxylate

IUPAC name

ethyl 4-[(3-chloro-4-methylphenyl)amino]-2-methylquinoline-6-carboxylate

SMILES

CCOC(c(cc12)ccc1nc(C)cc2Nc1cc(Cl)c(C)cc1)=O

InChI

InChI=1S/C20H19ClN2O2/c1-4-25-20(24)14-6-8-18-16(10-14)19(9-13(3)22-18)23-15-7-5-12(2)17(21)11-15/h5-11H,4H2,1-3H3,(H,22,23)

InChI Key

WEFZICZZSWZEBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671139

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

354.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.518

Distribution Coefficient, logD

6.491

Water Solubility, LogSw

-6.32

Polar Surface Area

37.344

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4593-2995 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4593-2995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-2995?
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What is the minimum amount of 4593-2995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-2995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-2995
  • 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 4593-2995 available by request