L629-0172 Screening compound: N-[(2-ethoxyphenyl)methyl]-2-[1-(thiophene-2-sulfonyl)piperidin-4-yl]acetamide

L629-0172 Screening compound: N-[(2-ethoxyphenyl)methyl]-2-[1-(thiophene-2-sulfonyl)piperidin-4-yl]acetamide
L629-0172 Screening compound: N-[(2-ethoxyphenyl)methyl]-2-[1-(thiophene-2-sulfonyl)piperidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L629-0172
N-[(2-ethoxyphenyl)methyl]-2-[1-(thiophene-2-sulfonyl)piperidin-4-yl]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

L629-0172

Molecular Formula

C20H26N2O4S2 (C20 H26 N2 O4 S2)

Compound Name

N-[(2-ethoxyphenyl)methyl]-2-[1-(thiophene-2-sulfonyl)piperidin-4-yl]acetamide

IUPAC name

N-[(2-ethoxyphenyl)methyl]-2-[1-(thiophene-2-sulfonyl)piperidin-4-yl]acetamide

SMILES

CCOc1c(CNC(CC(CC2)CCN2S(c2cccs2)(=O)=O)=O)cccc1

InChI

InChI=1S/C20H26N2O4S2/c1-2-26-18-7-4-3-6-17(18)15-21-19(23)14-16-9-11-22(12-10-16)28(24,25)20-8-5-13-27-20/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,21,23)

InChI Key

YIIHTTRFATXZHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27466370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-3.62

Polar Surface Area

64.378

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

L629-0172 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L629-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L629-0172?
Check Price and Availability of L629-0172, 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 L629-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L629-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L629-0172
  • 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 L629-0172 available by request