S035-0936 Screening compound: N~3~-[(1S,4S,5S)-2-(3,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]hept-5-yl]-3-pyridinesulfonamide

S035-0936 Screening compound: N~3~-[(1S,4S,5S)-2-(3,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]hept-5-yl]-3-pyridinesulfonamide
S035-0936 Screening compound: N~3~-[(1S,4S,5S)-2-(3,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]hept-5-yl]-3-pyridinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S035-0936
N~3~-[(1S,4S,5S)-2-(3,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]hept-5-yl]-3-pyridinesulfonamide

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

S035-0936

Molecular Formula

C20H23N3O5S (C20 H23 N3 O5 S)

Compound Name

N~3~-[(1S,4S,5S)-2-(3,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]hept-5-yl]-3-pyridinesulfonamide

IUPAC name

N-[(1S4S5S)-2-(34-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide

SMILES

COc(ccc(C(N(C[C@@H]1C2)[C@@H]2C[C@@H]1NS(c1cnccc1)(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C20H23N3O5S/c1-27-18-6-5-13(9-19(18)28-2)20(24)23-12-14-8-15(23)10-17(14)22-29(25,26)16-4-3-7-21-11-16/h3-7,9,11,14-15,17,22H,8,10,12H2,1-2H3/t14-,15-,17-/m0/s1

InChI Key

WGAXMDMIOHOCFZ-ZOBUZTSGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.335

Distribution Coefficient, logD

1.335

Water Solubility, LogSw

-2.09

Polar Surface Area

83.612

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

S035-0936 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S035-0936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S035-0936?
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What is the minimum amount of S035-0936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S035-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S035-0936
  • 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 S035-0936 available by request