S033-0624 Screening compound: N~1~-{(1R,4S,6S)-2-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-2-azabicyclo[2.2.1]hept-6-yl}-1-benzenesulfonamide

S033-0624 Screening compound: N~1~-{(1R,4S,6S)-2-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-2-azabicyclo[2.2.1]hept-6-yl}-1-benzenesulfonamide
S033-0624 Screening compound: N~1~-{(1R,4S,6S)-2-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-2-azabicyclo[2.2.1]hept-6-yl}-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S033-0624
N~1~-{(1R,4S,6S)-2-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-2-azabicyclo[2.2.1]hept-6-yl}-1-benzenesulfonamide

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

S033-0624

Molecular Formula

C18H22N4O3S (C18 H22 N4 O3 S)

Compound Name

N~1~-{(1R,4S,6S)-2-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-2-azabicyclo[2.2.1]hept-6-yl}-1-benzenesulfonamide

IUPAC name

n/a

SMILES

CCn1nccc1C(N(C[C@@H](C1)C2)[C@@H]2[C@@H]1NS(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C18H22N4O3S/c1-2-22-16(8-9-19-22)18(23)21-12-13-10-15(17(21)11-13)20-26(24,25)14-6-4-3-5-7-14/h3-9,13,15,17,20H,2,10-12H2,1H3/t13-,15+,17-/m0/s1

InChI Key

NJTSKCACTJEDFM-LXZKKBNFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.681

Distribution Coefficient, logD

1.681

Water Solubility, LogSw

-2.49

Polar Surface Area

71.746

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

44.40

S033-0624 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 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
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S033-0624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S033-0624?
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What is the minimum amount of S033-0624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S033-0624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S033-0624
  • 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 S033-0624 available by request