C387-1454 Screening compound: N-[2-(4-methylphenyl)ethyl]-2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxamide

C387-1454 Screening compound: N-[2-(4-methylphenyl)ethyl]-2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxamide
C387-1454 Screening compound: N-[2-(4-methylphenyl)ethyl]-2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C387-1454
N-[2-(4-methylphenyl)ethyl]-2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxamide

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

C387-1454

Molecular Formula

C26H25N3OS (C26 H25 N3 OS)

Compound Name

N-[2-(4-methylphenyl)ethyl]-2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxamide

IUPAC name

N-[2-(4-methylphenyl)ethyl]-2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxamide

SMILES

Cc1ccc(CCNC(c2cc(Nc3cccc(SC)c3)nc3ccccc23)=O)cc1

InChI

InChI=1S/C26H25N3OS/c1-18-10-12-19(13-11-18)14-15-27-26(30)23-17-25(29-24-9-4-3-8-22(23)24)28-20-6-5-7-21(16-20)31-2/h3-13,16-17H,14-15H2,1-2H3,(H,27,30)(H,28,29)

InChI Key

NNTSCOAAXMGMFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.181

Distribution Coefficient, logD

6.181

Water Solubility, LogSw

-5.67

Polar Surface Area

42.304

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C387-1454 in Drug Discovery

Included in Screening Libraries

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 C387-1454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C387-1454?
Check Price and Availability of C387-1454, 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 C387-1454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C387-1454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C387-1454
  • 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 C387-1454 available by request