L118-0166 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[5-(piperidine-1-sulfonyl)thiophen-2-yl]benzamide

L118-0166 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[5-(piperidine-1-sulfonyl)thiophen-2-yl]benzamide
L118-0166 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[5-(piperidine-1-sulfonyl)thiophen-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L118-0166
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[5-(piperidine-1-sulfonyl)thiophen-2-yl]benzamide

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

L118-0166

Molecular Formula

C24H24N2O5S2 (C24 H24 N2 O5 S2)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[5-(piperidine-1-sulfonyl)thiophen-2-yl]benzamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-[5-(piperidine-1-sulfonyl)thiophen-2-yl]benzamide

SMILES

O=C(c(cc1)ccc1-c(s1)ccc1S(N1CCCCC1)(=O)=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C24H24N2O5S2/c27-24(25-19-8-9-20-21(16-19)31-15-14-30-20)18-6-4-17(5-7-18)22-10-11-23(32-22)33(28,29)26-12-2-1-3-13-26/h4-11,16H,1-3,12-15H2,(H,25,27)

InChI Key

XRVXOLFOLJFVHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.742

Distribution Coefficient, logD

3.741

Water Solubility, LogSw

-3.99

Polar Surface Area

71.611

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

L118-0166 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with L118-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L118-0166?
Check Price and Availability of L118-0166, 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 L118-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L118-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L118-0166
  • 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 L118-0166 available by request