L629-0583 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(thiophene-2-sulfonyl)piperidin-4-yl]propanamide

L629-0583 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(thiophene-2-sulfonyl)piperidin-4-yl]propanamide
L629-0583 Screening compound: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(thiophene-2-sulfonyl)piperidin-4-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L629-0583
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(thiophene-2-sulfonyl)piperidin-4-yl]propanamide

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

L629-0583

Molecular Formula

C22H26ClN3O3S2 (C22 H26 ClN3 O3 S2)

Compound Name

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(thiophene-2-sulfonyl)piperidin-4-yl]propanamide

IUPAC name

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[1-(thiophene-2-sulfonyl)piperidin-4-yl]propanamide

SMILES

CC(C(CC1)CCN1S(c1cccs1)(=O)=O)C(NCCc1c[nH]c(cc2)c1cc2Cl)=O

InChI

InChI=1S/C22H26ClN3O3S2/c1-15(16-7-10-26(11-8-16)31(28,29)21-3-2-12-30-21)22(27)24-9-6-17-14-25-20-5-4-18(23)13-19(17)20/h2-5,12-16,25H,6-11H2,1H3,(H,24,27)/t15-/m0/s1

InChI Key

HWCHWGPKPHAYBB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27466416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.855

Distribution Coefficient, logD

3.855

Water Solubility, LogSw

-4.32

Polar Surface Area

67.093

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

L629-0583 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Indole Derivatives (10091 compounds)

KRAS-Targeted Library (16000 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L629-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L629-0583?
Check Price and Availability of L629-0583, 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 L629-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L629-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L629-0583
  • 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 L629-0583 available by request