3356-0198 Screening compound: 4-methyl-N-[3-oxo-3-(1,4,7-trioxa-10-azacyclododecan-10-yl)propyl]benzene-1-sulfonamide

3356-0198 Screening compound: 4-methyl-N-[3-oxo-3-(1,4,7-trioxa-10-azacyclododecan-10-yl)propyl]benzene-1-sulfonamide
3356-0198 Screening compound: 4-methyl-N-[3-oxo-3-(1,4,7-trioxa-10-azacyclododecan-10-yl)propyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3356-0198
4-methyl-N-[3-oxo-3-(1,4,7-trioxa-10-azacyclododecan-10-yl)propyl]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

3356-0198

Molecular Formula

C18H28N2O6S (C18 H28 N2 O6 S)

Compound Name

4-methyl-N-[3-oxo-3-(1,4,7-trioxa-10-azacyclododecan-10-yl)propyl]benzene-1-sulfonamide

IUPAC name

4-methyl-N-[3-oxo-3-(147-trioxa-10-azacyclododecan-10-yl)propyl]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NCCC(N1CCOCCOCCOCC1)=O)(=O)=O

InChI

InChI=1S/C18H28N2O6S/c1-16-2-4-17(5-3-16)27(22,23)19-7-6-18(21)20-8-10-24-12-14-26-15-13-25-11-9-20/h2-5,19H,6-15H2,1H3

InChI Key

INDYXYIUZFHQKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00353684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.613

Distribution Coefficient, logD

0.613

Water Solubility, LogSw

-2.45

Polar Surface Area

82.287

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

3356-0198 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3356-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3356-0198?
Check Price and Availability of 3356-0198, 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 3356-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3356-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3356-0198
  • 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 3356-0198 available by request