L228-0861 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-cyclobutyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide

L228-0861 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-cyclobutyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
L228-0861 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-cyclobutyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L228-0861
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-cyclobutyl-1,3-oxazol-5-yl)thiophene-2-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

L228-0861

Molecular Formula

C19H18N2O5S2 (C19 H18 N2 O5 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(2-cyclobutyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-(2-cyclobutyl-13-oxazol-5-yl)thiophene-2-sulfonamide

SMILES

O=S(c1ccc(-c2cnc(C3CCC3)o2)s1)(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C19H18N2O5S2/c22-28(23,21-9-12-4-5-14-15(8-12)25-11-24-14)18-7-6-17(27-18)16-10-20-19(26-16)13-2-1-3-13/h4-8,10,13,21H,1-3,9,11H2

InChI Key

LQCZCFUVMWWKIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27236865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.907

Distribution Coefficient, logD

3.906

Water Solubility, LogSw

-3.84

Polar Surface Area

78.106

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

L228-0861 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L228-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L228-0861?
Check Price and Availability of L228-0861, 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 L228-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L228-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L228-0861
  • 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 L228-0861 available by request