S892-0518 Screening compound: 2-{1-benzyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}-N,N-dimethylpiperidine-1-sulfonamide

S892-0518 Screening compound: 2-{1-benzyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}-N,N-dimethylpiperidine-1-sulfonamide
S892-0518 Screening compound: 2-{1-benzyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}-N,N-dimethylpiperidine-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S892-0518
2-{1-benzyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}-N,N-dimethylpiperidine-1-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

S892-0518

Molecular Formula

C20H28N4O3S (C20 H28 N4 O3 S)

Compound Name

2-{1-benzyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}-N,N-dimethylpiperidine-1-sulfonamide

IUPAC name

2-{1-benzyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}-NN-dimethylpiperidine-1-sulfonamide

SMILES

CN(C)S(N(CCCC1)C1c1nn(Cc2ccccc2)c2c1COCC2)(=O)=O

InChI

InChI=1S/C20H28N4O3S/c1-22(2)28(25,26)24-12-7-6-10-19(24)20-17-15-27-13-11-18(17)23(21-20)14-16-8-4-3-5-9-16/h3-5,8-9,19H,6-7,10-15H2,1-2H3/t19-/m0/s1

InChI Key

IWRDKUYRKFDFAU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31953420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.151

Distribution Coefficient, logD

2.151

Water Solubility, LogSw

-2.41

Polar Surface Area

59.295

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

S892-0518 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)

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
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S892-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S892-0518?
Check Price and Availability of S892-0518, 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 S892-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S892-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S892-0518
  • 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 S892-0518 available by request