L612-0087 Screening compound: 6-{[4-(2-methylbenzenesulfonamido)phenyl]sulfanyl}-N-(3-methylbutyl)pyridine-3-carboxamide

L612-0087 Screening compound: 6-{[4-(2-methylbenzenesulfonamido)phenyl]sulfanyl}-N-(3-methylbutyl)pyridine-3-carboxamide
L612-0087 Screening compound: 6-{[4-(2-methylbenzenesulfonamido)phenyl]sulfanyl}-N-(3-methylbutyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L612-0087
6-{[4-(2-methylbenzenesulfonamido)phenyl]sulfanyl}-N-(3-methylbutyl)pyridine-3-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

L612-0087

Molecular Formula

C24H27N3O3S2 (C24 H27 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNC(c(cc1)cnc1Sc(cc1)ccc1NS(c1c(C)cccc1)(=O)=O)=O

InChI

InChI=1S/C24H27N3O3S2/c1-17(2)14-15-25-24(28)19-8-13-23(26-16-19)31-21-11-9-20(10-12-21)27-32(29,30)22-7-5-4-6-18(22)3/h4-13,16-17,27H,14-15H2,1-3H3,(H,25,28)

InChI Key

JARDZAIOUDTKNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15132208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.268

Distribution Coefficient, logD

5.159

Water Solubility, LogSw

-5.04

Polar Surface Area

73.641

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L612-0087 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Glucocorticoid receptors Library (4806 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L612-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L612-0087?
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What is the minimum amount of L612-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L612-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L612-0087
  • 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 L612-0087 available by request