C463-0202 Screening compound: 2-[(1-METHYL-2-OXO-1,2-DIHYDROQUINOLIN-4-YL)SULFANYL]-N-({1-[(3-METHYLPHENYL)METHYL]PIPERIDIN-4-YL}METHYL)ACETAMIDE

C463-0202 Screening compound: 2-[(1-METHYL-2-OXO-1,2-DIHYDROQUINOLIN-4-YL)SULFANYL]-N-({1-[(3-METHYLPHENYL)METHYL]PIPERIDIN-4-YL}METHYL)ACETAMIDE
C463-0202 Screening compound: 2-[(1-METHYL-2-OXO-1,2-DIHYDROQUINOLIN-4-YL)SULFANYL]-N-({1-[(3-METHYLPHENYL)METHYL]PIPERIDIN-4-YL}METHYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C463-0202
2-[(1-METHYL-2-OXO-1,2-DIHYDROQUINOLIN-4-YL)SULFANYL]-N-({1-[(3-METHYLPHENYL)METHYL]PIPERIDIN-4-YL}METHYL)ACETAMIDE

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

C463-0202

Molecular Formula

C26H31N3O2S (C26 H31 N3 O2 S)

Compound Name

2-[(1-METHYL-2-OXO-1,2-DIHYDROQUINOLIN-4-YL)SULFANYL]-N-({1-[(3-METHYLPHENYL)METHYL]PIPERIDIN-4-YL}METHYL)ACETAMIDE

IUPAC name

n/a

SMILES

Cc1cccc(CN2CCC(CNC(CSC(c(cccc3)c3N3C)=CC3=O)=O)CC2)c1

InChI

InChI=1S/C26H31N3O2S/c1-19-6-5-7-21(14-19)17-29-12-10-20(11-13-29)16-27-25(30)18-32-24-15-26(31)28(2)23-9-4-3-8-22(23)24/h3-9,14-15,20H,10-13,16-18H2,1-2H3,(H,27,30)

InChI Key

YKNLSXNOSUZNAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.645

Distribution Coefficient, logD

1.153

Water Solubility, LogSw

-4.07

Polar Surface Area

43.589

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C463-0202 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C463-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C463-0202?
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What is the minimum amount of C463-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C463-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C463-0202
  • 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 C463-0202 available by request