C387-1497 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxamide

C387-1497 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxamide
C387-1497 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C387-1497
N-[3-(4-benzylpiperidin-1-yl)propyl]-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

C387-1497

Molecular Formula

C32H36N4OS (C32 H36 N4 OS)

Compound Name

N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxamide

IUPAC name

N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxamide

SMILES

CSc1cc(Nc2nc3ccccc3c(C(NCCCN3CCC(Cc4ccccc4)CC3)=O)c2)ccc1

InChI

InChI=1S/C32H36N4OS/c1-38-27-12-7-11-26(22-27)34-31-23-29(28-13-5-6-14-30(28)35-31)32(37)33-17-8-18-36-19-15-25(16-20-36)21-24-9-3-2-4-10-24/h2-7,9-14,22-23,25H,8,15-21H2,1H3,(H,33,37)(H,34,35)

InChI Key

QXNHQCZUDVWHOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.158

Distribution Coefficient, logD

5.123

Water Solubility, LogSw

-5.89

Polar Surface Area

46.014

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C387-1497 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Antibacterial Compounds Library (13827 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C387-1497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C387-1497?
Check Price and Availability of C387-1497, 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 C387-1497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C387-1497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C387-1497
  • 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 C387-1497 available by request