S033-1457 Screening compound: N-(2H-1,3-BENZODIOXOL-5-YL)-6-(THIOPHENE-2-SULFONAMIDO)-2-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXAMIDE

S033-1457 Screening compound: N-(2H-1,3-BENZODIOXOL-5-YL)-6-(THIOPHENE-2-SULFONAMIDO)-2-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXAMIDE
S033-1457 Screening compound: N-(2H-1,3-BENZODIOXOL-5-YL)-6-(THIOPHENE-2-SULFONAMIDO)-2-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S033-1457
N-(2H-1,3-BENZODIOXOL-5-YL)-6-(THIOPHENE-2-SULFONAMIDO)-2-AZABICYCLO[2.2.1]HEPTANE-2-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

S033-1457

Molecular Formula

C18H19N3O5S2 (C18 H19 N3 O5 S2)

Compound Name

N-(2H-1,3-BENZODIOXOL-5-YL)-6-(THIOPHENE-2-SULFONAMIDO)-2-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(Nc(cc1)cc2c1OCO2)N(C[C@@H](C1)C2)[C@@H]2[C@@H]1NS(c1cccs1)(=O)=O

InChI

InChI=1S/C18H19N3O5S2/c22-18(19-12-3-4-15-16(8-12)26-10-25-15)21-9-11-6-13(14(21)7-11)20-28(23,24)17-2-1-5-27-17/h1-5,8,11,13-14,20H,6-7,9-10H2,(H,19,22)/t11-,13+,14-/m0/s1

InChI Key

QHLJSCLHIOMPCS-YUTCNCBUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.613

Distribution Coefficient, logD

2.613

Water Solubility, LogSw

-3.16

Polar Surface Area

85.612

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.90

S033-1457 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S033-1457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S033-1457?
Check Price and Availability of S033-1457, 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 S033-1457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S033-1457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S033-1457
  • 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 S033-1457 available by request