C153-0220 Screening compound: 3-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide

C153-0220 Screening compound: 3-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
C153-0220 Screening compound: 3-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C153-0220
3-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-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

C153-0220

Molecular Formula

C26H30N2O4S (C26 H30 N2 O4 S)

Compound Name

3-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide

IUPAC name

3-methyl-5-[(4-methylpiperidin-1-yl)sulfonyl]-N-(1234-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide

SMILES

CC(CC1)CCN1S(c(cc1)cc2c1oc(C(NC(CCC1)c3c1cccc3)=O)c2C)(=O)=O

InChI

InChI=1S/C26H30N2O4S/c1-17-12-14-28(15-13-17)33(30,31)20-10-11-24-22(16-20)18(2)25(32-24)26(29)27-23-9-5-7-19-6-3-4-8-21(19)23/h3-4,6,8,10-11,16-17,23H,5,7,9,12-15H2,1-2H3,(H,27,29)/t23-/m0/s1

InChI Key

UEFQILXRKOTTLT-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14723084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.514

Distribution Coefficient, logD

5.513

Water Solubility, LogSw

-5.43

Polar Surface Area

64.732

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

C153-0220 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C153-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C153-0220?
Check Price and Availability of C153-0220, 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 C153-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C153-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C153-0220
  • 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 C153-0220 available by request