L485-4013 Screening compound: 4-{[8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzene-1-sulfonamide

L485-4013 Screening compound: 4-{[8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzene-1-sulfonamide
L485-4013 Screening compound: 4-{[8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L485-4013
4-{[8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzene-1-sulfonamide

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

L485-4013

Molecular Formula

C21H22N4O4S2 (C21 H22 N4 O4 S2)

Compound Name

4-{[8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzene-1-sulfonamide

IUPAC name

4-{[8-methoxy-2-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzene-1-sulfonamide

SMILES

COc(cccc1c(Nc(cc2)ccc2S(N)(=O)=O)c2)c1nc2C(N1CCSCC1)=O

InChI

InChI=1S/C21H22N4O4S2/c1-29-19-4-2-3-16-17(23-14-5-7-15(8-6-14)31(22,27)28)13-18(24-20(16)19)21(26)25-9-11-30-12-10-25/h2-8,13H,9-12H2,1H3,(H,23,24)(H2,22,27,28)

InChI Key

KOPJQEBUBUWCPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27456943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.681

Distribution Coefficient, logD

2.680

Water Solubility, LogSw

-3.48

Polar Surface Area

92.436

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L485-4013 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Carbonic Anhydrase II Library (4939 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L485-4013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L485-4013?
Check Price and Availability of L485-4013, 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 L485-4013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L485-4013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L485-4013
  • 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 L485-4013 available by request