S034-1227 Screening compound: N~1~-{(1S,4S,5S)-2-[(5-chloro-2-methoxyphenyl)sulfonyl]-2-azabicyclo[2.2.1]hept-5-yl}benzamide

S034-1227 Screening compound: N~1~-{(1S,4S,5S)-2-[(5-chloro-2-methoxyphenyl)sulfonyl]-2-azabicyclo[2.2.1]hept-5-yl}benzamide
S034-1227 Screening compound: N~1~-{(1S,4S,5S)-2-[(5-chloro-2-methoxyphenyl)sulfonyl]-2-azabicyclo[2.2.1]hept-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S034-1227
N~1~-{(1S,4S,5S)-2-[(5-chloro-2-methoxyphenyl)sulfonyl]-2-azabicyclo[2.2.1]hept-5-yl}benzamide

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

S034-1227

Molecular Formula

C20H21ClN2O4S (C20 H21 ClN2 O4 S)

Compound Name

N~1~-{(1S,4S,5S)-2-[(5-chloro-2-methoxyphenyl)sulfonyl]-2-azabicyclo[2.2.1]hept-5-yl}benzamide

IUPAC name

N-[(1S4S5S)-2-(5-chloro-2-methoxybenzenesulfonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide

SMILES

COc(ccc(Cl)c1)c1S(N(C[C@@H]1C2)[C@@H]2C[C@@H]1NC(c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C20H21ClN2O4S/c1-27-18-8-7-15(21)10-19(18)28(25,26)23-12-14-9-16(23)11-17(14)22-20(24)13-5-3-2-4-6-13/h2-8,10,14,16-17H,9,11-12H2,1H3,(H,22,24)/t14-,16-,17+/m0/s1

InChI Key

YMMIHEFDSBMOIE-BHYGNILZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.92

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

2.925

Distribution Coefficient, logD

2.925

Water Solubility, LogSw

-3.74

Polar Surface Area

64.745

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

35.00

S034-1227 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 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

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S034-1227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S034-1227?
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What is the minimum amount of S034-1227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S034-1227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S034-1227
  • 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 S034-1227 available by request