S033-0937 Screening compound: N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-sulfonamide

S033-0937 Screening compound: N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-sulfonamide
S033-0937 Screening compound: N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S033-0937
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-sulfonamide

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

S033-0937

Molecular Formula

C20H23N3O5S (C20 H23 N3 O5 S)

Compound Name

N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-sulfonamide

IUPAC name

N-[(1R4S6S)-2-(35-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-sulfonamide

SMILES

COc1cc(C(N(C[C@@H](C2)C3)[C@@H]3[C@@H]2NS(c2cnccc2)(=O)=O)=O)cc(OC)c1

InChI

InChI=1S/C20H23N3O5S/c1-27-15-8-14(9-16(10-15)28-2)20(24)23-12-13-6-18(19(23)7-13)22-29(25,26)17-4-3-5-21-11-17/h3-5,8-11,13,18-19,22H,6-7,12H2,1-2H3/t13-,18+,19-/m0/s1

InChI Key

MFRWOVDQSXRXDP-BKTGTZMESA-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

2.218

Distribution Coefficient, logD

2.218

Water Solubility, LogSw

-2.43

Polar Surface Area

83.262

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.00

S033-0937 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 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 S033-0937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S033-0937?
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What is the minimum amount of S033-0937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S033-0937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S033-0937
  • 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 S033-0937 available by request