S059-0276 Screening compound: N-[1-(THIOPHENE-2-SULFONYL)PYRROLIDIN-3-YL]PYRIDIN-3-AMINE

S059-0276 Screening compound: N-[1-(THIOPHENE-2-SULFONYL)PYRROLIDIN-3-YL]PYRIDIN-3-AMINE
S059-0276 Screening compound: N-[1-(THIOPHENE-2-SULFONYL)PYRROLIDIN-3-YL]PYRIDIN-3-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S059-0276
N-[1-(THIOPHENE-2-SULFONYL)PYRROLIDIN-3-YL]PYRIDIN-3-AMINE

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

S059-0276

Molecular Formula

C13H15N3O2S2 (C13 H15 N3 O2 S2)

Compound Name

N-[1-(THIOPHENE-2-SULFONYL)PYRROLIDIN-3-YL]PYRIDIN-3-AMINE

IUPAC name

n/a

SMILES

O=S(c1cccs1)(N(CC1)CC1Nc1cnccc1)=O

InChI

InChI=1S/C13H15N3O2S2/c17-20(18,13-4-2-8-19-13)16-7-5-12(10-16)15-11-3-1-6-14-9-11/h1-4,6,8-9,12,15H,5,7,10H2/t12-/m1/s1

InChI Key

ZXRIZNOFKGAQIS-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29030811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.693

Distribution Coefficient, logD

1.635

Water Solubility, LogSw

-1.76

Polar Surface Area

52.553

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

S059-0276 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)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S059-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S059-0276?
Check Price and Availability of S059-0276, 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 S059-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S059-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S059-0276
  • 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 S059-0276 available by request