Screening compound: C16H21FN2O4S (S858-4842)

Screening compound: C<sub>16</sub>H<sub>21</sub>FN<sub>2</sub>O<sub>4</sub>S (S858-4842)
Screening compound: C<sub>16</sub>H<sub>21</sub>FN<sub>2</sub>O<sub>4</sub>S (S858-4842) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C16H21FN2O4S (S858-4842)

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

S858-4842

Molecular Formula

C16H21FN2O4S (C16 H21 FN2 O4 S)

Compound Name

[2-(3-fluorobenzoyl)-5-methanesulfonyl-octahydro-1H-pyrrolo[3,4-c]pyridin-3a-yl]methanol

IUPAC name

[(3aR7aR)-2-(3-fluorobenzoyl)-5-methanesulfonyl-octahydro-1H-pyrrolo[34-c]pyridin-3a-yl]methanol

SMILES

CS(N1C[C@](CO)(CN(C2)C(c3cc(F)ccc3)=O)[C@H]2CC1)(=O)=O

InChI

InChI=1S/C16H21FN2O4S/c1-24(22,23)19-6-5-13-8-18(9-16(13,10-19)11-20)15(21)12-3-2-4-14(17)7-12/h2-4,7,13,20H,5-6,8-11H2,1H3/t13-,16+/m1/s1

InChI Key

JMWDDIVYUGNKKN-CJNGLKHVSA-N

MDL Number (MFCD)

C16H21FN2O4S (S858-4842) in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C16H21FN2O4S (S858-4842) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C16H21FN2O4S (S858-4842)?
Check Price and Availability of C16H21FN2O4S (S858-4842), then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C16H21FN2O4S (S858-4842) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C16H21FN2O4S (S858-4842)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C16H21FN2O4S (S858-4842)
  • 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 C16H21FN2O4S (S858-4842) available by request