L612-0216 Screening compound: N-allyl-6-[(4-{[(5-chloro-2-thienyl)sulfonyl]amino}phenyl)sulfanyl]nicotinamide

L612-0216 Screening compound: N-allyl-6-[(4-{[(5-chloro-2-thienyl)sulfonyl]amino}phenyl)sulfanyl]nicotinamide
L612-0216 Screening compound: N-allyl-6-[(4-{[(5-chloro-2-thienyl)sulfonyl]amino}phenyl)sulfanyl]nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L612-0216
N-allyl-6-[(4-{[(5-chloro-2-thienyl)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

L612-0216

Molecular Formula

C19H16ClN3O3S3 (C19 H16 ClN3 O3 S3)

Compound Name

N-allyl-6-[(4-{[(5-chloro-2-thienyl)sulfonyl]amino}phenyl)sulfanyl]nicotinamide

IUPAC name

6-{[4-(5-chlorothiophene-2-sulfonamido)phenyl]sulfanyl}-N-(prop-2-en-1-yl)pyridine-3-carboxamide

SMILES

C=CCNC(c(cc1)cnc1Sc(cc1)ccc1NS(c(s1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C19H16ClN3O3S3/c1-2-11-21-19(24)13-3-9-17(22-12-13)27-15-6-4-14(5-7-15)23-29(25,26)18-10-8-16(20)28-18/h2-10,12,23H,1,11H2,(H,21,24)

InChI Key

MLXNMBHKHIJKAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15132291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.446

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.56

Polar Surface Area

74.660

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.26

L612-0216 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L612-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L612-0216?
Check Price and Availability of L612-0216, 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 L612-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L612-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L612-0216
  • 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 L612-0216 available by request