S032-2118 Screening compound: N-[2-(3-chloro-4-methoxybenzenesulfonyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide

S032-2118 Screening compound: N-[2-(3-chloro-4-methoxybenzenesulfonyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide
S032-2118 Screening compound: N-[2-(3-chloro-4-methoxybenzenesulfonyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S032-2118
N-[2-(3-chloro-4-methoxybenzenesulfonyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-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

S032-2118

Molecular Formula

C18H19ClN2O4S2 (C18 H19 ClN2 O4 S2)

Compound Name

N-[2-(3-chloro-4-methoxybenzenesulfonyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide

IUPAC name

N-[(1R4R6S)-2-(3-chloro-4-methoxybenzenesulfonyl)-2-azabicyclo[2.2.1]heptan-6-yl]thiophene-2-carboxamide

SMILES

COc(ccc(S(N(C[C@@H](C1)C2)[C@@H]2[C@@H]1NC(c1cccs1)=O)(=O)=O)c1)c1Cl

InChI

InChI=1S/C18H19ClN2O4S2/c1-25-16-5-4-12(9-13(16)19)27(23,24)21-10-11-7-14(15(21)8-11)20-18(22)17-3-2-6-26-17/h2-6,9,11,14-15H,7-8,10H2,1H3,(H,20,22)/t11-,14+,15-/m0/s1

InChI Key

ZHVNBJXSHMPSER-GLQYFDAESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.146

Distribution Coefficient, logD

3.146

Water Solubility, LogSw

-3.60

Polar Surface Area

65.587

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.90

S032-2118 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Akt-Targeted Library (14764 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S032-2118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S032-2118?
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What is the minimum amount of S032-2118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S032-2118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S032-2118
  • 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 S032-2118 available by request