S033-0904 Screening compound: N-{(1R,4S,6S)-2-[3-(TRIFLUOROMETHOXY)BENZOYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}-3-PYRIDINESULFONAMIDE

S033-0904 Screening compound: N-{(1R,4S,6S)-2-[3-(TRIFLUOROMETHOXY)BENZOYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}-3-PYRIDINESULFONAMIDE
S033-0904 Screening compound: N-{(1R,4S,6S)-2-[3-(TRIFLUOROMETHOXY)BENZOYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}-3-PYRIDINESULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S033-0904
N-{(1R,4S,6S)-2-[3-(TRIFLUOROMETHOXY)BENZOYL]-2-AZABICYCLO[2.2.1]HEPT-6-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

S033-0904

Molecular Formula

C19H18F3N3O4S (C19 H18 F3 N3 O4 S)

Compound Name

N-{(1R,4S,6S)-2-[3-(TRIFLUOROMETHOXY)BENZOYL]-2-AZABICYCLO[2.2.1]HEPT-6-YL}-3-PYRIDINESULFONAMIDE

IUPAC name

n/a

SMILES

O=C(c1cc(OC(F)(F)F)ccc1)N(C[C@@H](C1)C2)[C@@H]2[C@@H]1NS(c1cnccc1)(=O)=O

InChI

InChI=1S/C19H18F3N3O4S/c20-19(21,22)29-14-4-1-3-13(9-14)18(26)25-11-12-7-16(17(25)8-12)24-30(27,28)15-5-2-6-23-10-15/h1-6,9-10,12,16-17,24H,7-8,11H2/t12-,16+,17-/m0/s1

InChI Key

FSDCJYFALVVIKG-VUCTXSBTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.120

Distribution Coefficient, logD

3.120

Water Solubility, LogSw

-3.45

Polar Surface Area

74.112

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.80

S033-0904 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S033-0904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S033-0904?
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What is the minimum amount of S033-0904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S033-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S033-0904
  • 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 S033-0904 available by request