S893-0965 Screening compound: 2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-N~1~,N~1~-dimethyl-1-pyrrolidinesulfonamide

S893-0965 Screening compound: 2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-N~1~,N~1~-dimethyl-1-pyrrolidinesulfonamide
S893-0965 Screening compound: 2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-N~1~,N~1~-dimethyl-1-pyrrolidinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S893-0965
2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-N~1~,N~1~-dimethyl-1-pyrrolidinesulfonamide

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

S893-0965

Molecular Formula

C15H26N4O4S (C15 H26 N4 O4 S)

Compound Name

2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-N~1~,N~1~-dimethyl-1-pyrrolidinesulfonamide

IUPAC name

2-[1-(2-methoxyethyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]-NN-dimethylpyrrolidine-1-sulfonamide

SMILES

CN(C)S(N(CCC1)C1c1nn(CCOC)c2c1COCC2)(=O)=O

InChI

InChI=1S/C15H26N4O4S/c1-17(2)24(20,21)19-7-4-5-14(19)15-12-11-23-9-6-13(12)18(16-15)8-10-22-3/h14H,4-11H2,1-3H3/t14-/m0/s1

InChI Key

FXWKFHGFHSZAOI-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.010

Distribution Coefficient, logD

-0.010

Water Solubility, LogSw

-1.03

Polar Surface Area

68.253

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

S893-0965 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S893-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S893-0965?
Check Price and Availability of S893-0965, 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 S893-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S893-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S893-0965
  • 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 S893-0965 available by request