L612-0126 Screening compound: N-(2-methoxyethyl)-6-[(4-{[(4-propylphenyl)sulfonyl]amino}phenyl)sulfanyl]nicotinamide

L612-0126 Screening compound: N-(2-methoxyethyl)-6-[(4-{[(4-propylphenyl)sulfonyl]amino}phenyl)sulfanyl]nicotinamide
L612-0126 Screening compound: N-(2-methoxyethyl)-6-[(4-{[(4-propylphenyl)sulfonyl]amino}phenyl)sulfanyl]nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L612-0126
N-(2-methoxyethyl)-6-[(4-{[(4-propylphenyl)sulfonyl]amino}phenyl)sulfanyl]nicotinamide

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

L612-0126

Molecular Formula

C24H27N3O4S2 (C24 H27 N3 O4 S2)

Compound Name

N-(2-methoxyethyl)-6-[(4-{[(4-propylphenyl)sulfonyl]amino}phenyl)sulfanyl]nicotinamide

IUPAC name

N-(2-methoxyethyl)-6-{[4-(4-propylbenzenesulfonamido)phenyl]sulfanyl}pyridine-3-carboxamide

SMILES

CCCc(cc1)ccc1S(Nc(cc1)ccc1Sc(cc1)ncc1C(NCCOC)=O)(=O)=O

InChI

InChI=1S/C24H27N3O4S2/c1-3-4-18-5-12-22(13-6-18)33(29,30)27-20-8-10-21(11-9-20)32-23-14-7-19(17-26-23)24(28)25-15-16-31-2/h5-14,17,27H,3-4,15-16H2,1-2H3,(H,25,28)

InChI Key

PSHPYBUQOCKYSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15132229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.976

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-4.39

Polar Surface Area

81.984

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L612-0126 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L612-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L612-0126?
Check Price and Availability of L612-0126, 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 L612-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L612-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L612-0126
  • 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 L612-0126 available by request