S033-1235 Screening compound: N~2~-{(1R,4S,6S)-2-[2-(2-thienyl)acetyl]-2-azabicyclo[2.2.1]hept-6-yl}-2-thiophenesulfonamide

S033-1235 Screening compound: N~2~-{(1R,4S,6S)-2-[2-(2-thienyl)acetyl]-2-azabicyclo[2.2.1]hept-6-yl}-2-thiophenesulfonamide
S033-1235 Screening compound: N~2~-{(1R,4S,6S)-2-[2-(2-thienyl)acetyl]-2-azabicyclo[2.2.1]hept-6-yl}-2-thiophenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S033-1235
N~2~-{(1R,4S,6S)-2-[2-(2-thienyl)acetyl]-2-azabicyclo[2.2.1]hept-6-yl}-2-thiophenesulfonamide

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

S033-1235

Molecular Formula

C16H18N2O3S3 (C16 H18 N2 O3 S3)

Compound Name

N~2~-{(1R,4S,6S)-2-[2-(2-thienyl)acetyl]-2-azabicyclo[2.2.1]hept-6-yl}-2-thiophenesulfonamide

IUPAC name

N-[(1R4S6S)-2-[2-(thiophen-2-yl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-sulfonamide

SMILES

O=C(Cc1cccs1)N(C[C@@H](C1)C2)[C@@H]2[C@@H]1NS(c1cccs1)(=O)=O

InChI

InChI=1S/C16H18N2O3S3/c19-15(9-12-3-1-5-22-12)18-10-11-7-13(14(18)8-11)17-24(20,21)16-4-2-6-23-16/h1-6,11,13-14,17H,7-10H2/t11-,13+,14-/m0/s1

InChI Key

IKNARITXZDTIOA-YUTCNCBUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.250

Distribution Coefficient, logD

2.250

Water Solubility, LogSw

-2.70

Polar Surface Area

60.166

Acid Dissociation Constant (pKa)

10.97

Base Dissociation Constant (pKb)

-6.20

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

43.75

S033-1235 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S033-1235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S033-1235?
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What is the minimum amount of S033-1235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S033-1235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S033-1235
  • 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 S033-1235 available by request