S892-1110 Screening compound: 1-(2-methoxyethyl)-3-[1-(phenylsulfonyl)-2-piperidyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

S892-1110 Screening compound: 1-(2-methoxyethyl)-3-[1-(phenylsulfonyl)-2-piperidyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
S892-1110 Screening compound: 1-(2-methoxyethyl)-3-[1-(phenylsulfonyl)-2-piperidyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S892-1110
1-(2-methoxyethyl)-3-[1-(phenylsulfonyl)-2-piperidyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

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

S892-1110

Molecular Formula

C20H27N3O4S (C20 H27 N3 O4 S)

Compound Name

1-(2-methoxyethyl)-3-[1-(phenylsulfonyl)-2-piperidyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

IUPAC name

1-(benzenesulfonyl)-2-[1-(2-methoxyethyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]piperidine

SMILES

COCCn1nc(C(CCCC2)N2S(c2ccccc2)(=O)=O)c2c1CCOC2

InChI

InChI=1S/C20H27N3O4S/c1-26-14-12-22-18-10-13-27-15-17(18)20(21-22)19-9-5-6-11-23(19)28(24,25)16-7-3-2-4-8-16/h2-4,7-8,19H,5-6,9-15H2,1H3/t19-/m0/s1

InChI Key

KFACSZAWQCJJJX-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.091

Distribution Coefficient, logD

2.091

Water Solubility, LogSw

-2.30

Polar Surface Area

63.528

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

S892-1110 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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

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

References: we are preparing a list of scientific research reports with S892-1110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S892-1110?
Check Price and Availability of S892-1110, 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 S892-1110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S892-1110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S892-1110
  • 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 S892-1110 available by request