S893-0729 Screening compound: 2-{1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}-1-[(5-methylthiophen-2-yl)methyl]pyrrolidine

S893-0729 Screening compound: 2-{1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}-1-[(5-methylthiophen-2-yl)methyl]pyrrolidine
S893-0729 Screening compound: 2-{1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}-1-[(5-methylthiophen-2-yl)methyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S893-0729
2-{1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}-1-[(5-methylthiophen-2-yl)methyl]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

S893-0729

Molecular Formula

C17H23N3OS (C17 H23 N3 OS)

Compound Name

2-{1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}-1-[(5-methylthiophen-2-yl)methyl]pyrrolidine

IUPAC name

2-{1-methyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}-1-[(5-methylthiophen-2-yl)methyl]pyrrolidine

SMILES

Cc1ccc(CN(CCC2)C2c2nn(C)c3c2COCC3)s1

InChI

InChI=1S/C17H23N3OS/c1-12-5-6-13(22-12)10-20-8-3-4-16(20)17-14-11-21-9-7-15(14)19(2)18-17/h5-6,16H,3-4,7-11H2,1-2H3/t16-/m0/s1

InChI Key

NPXUYAACCGJZGR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31956843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.474

Distribution Coefficient, logD

-2.238

Water Solubility, LogSw

-2.48

Polar Surface Area

28.288

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

12.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S893-0729 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S893-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S893-0729?
Check Price and Availability of S893-0729, 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 S893-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S893-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S893-0729
  • 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 S893-0729 available by request