S893-1055 Screening compound: 1-(benzenesulfonyl)-2-{1-propyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}pyrrolidine

S893-1055 Screening compound: 1-(benzenesulfonyl)-2-{1-propyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}pyrrolidine
S893-1055 Screening compound: 1-(benzenesulfonyl)-2-{1-propyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S893-1055
1-(benzenesulfonyl)-2-{1-propyl-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

S893-1055

Molecular Formula

C19H25N3O3S (C19 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCn1nc(C(CCC2)N2S(c2ccccc2)(=O)=O)c2c1CCOC2

InChI

InChI=1S/C19H25N3O3S/c1-2-11-21-17-10-13-25-14-16(17)19(20-21)18-9-6-12-22(18)26(23,24)15-7-4-3-5-8-15/h3-5,7-8,18H,2,6,9-14H2,1H3/t18-/m0/s1

InChI Key

ZFKROOWLTUNDEF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32228609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.458

Distribution Coefficient, logD

2.458

Water Solubility, LogSw

-2.49

Polar Surface Area

55.552

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

S893-1055 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 S893-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S893-1055?
Check Price and Availability of S893-1055, 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 S893-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S893-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S893-1055
  • 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 S893-1055 available by request