S893-0114 Screening compound: 1-(2-ethylbenzenesulfonyl)-2-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}pyrrolidine

S893-0114 Screening compound: 1-(2-ethylbenzenesulfonyl)-2-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}pyrrolidine
S893-0114 Screening compound: 1-(2-ethylbenzenesulfonyl)-2-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S893-0114
1-(2-ethylbenzenesulfonyl)-2-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}pyrrolidine

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

S893-0114

Molecular Formula

C18H23N3O3S (C18 H23 N3 O3 S)

Compound Name

1-(2-ethylbenzenesulfonyl)-2-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}pyrrolidine

IUPAC name

1-(2-ethylbenzenesulfonyl)-2-{1H4H6H7H-pyrano[43-c]pyrazol-3-yl}pyrrolidine

SMILES

CCc(cccc1)c1S(N(CCC1)C1c1n[nH]c2c1COCC2)(=O)=O

InChI

InChI=1S/C18H23N3O3S/c1-2-13-6-3-4-8-17(13)25(22,23)21-10-5-7-16(21)18-14-12-24-11-9-15(14)19-20-18/h3-4,6,8,16H,2,5,7,9-12H2,1H3,(H,19,20)/t16-/m0/s1

InChI Key

IZHKTKBCVMCEFI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31954147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.560

Distribution Coefficient, logD

2.560

Water Solubility, LogSw

-2.65

Polar Surface Area

65.874

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S893-0114 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S893-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S893-0114?
Check Price and Availability of S893-0114, 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 S893-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S893-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S893-0114
  • 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 S893-0114 available by request