S064-0212 Screening compound: N-[1-(3-METHOXYPYRAZIN-2-YL)PYRROLIDIN-3-YL]THIOPHENE-2-SULFONAMIDE

S064-0212 Screening compound: N-[1-(3-METHOXYPYRAZIN-2-YL)PYRROLIDIN-3-YL]THIOPHENE-2-SULFONAMIDE
S064-0212 Screening compound: N-[1-(3-METHOXYPYRAZIN-2-YL)PYRROLIDIN-3-YL]THIOPHENE-2-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S064-0212
N-[1-(3-METHOXYPYRAZIN-2-YL)PYRROLIDIN-3-YL]THIOPHENE-2-SULFONAMIDE

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

S064-0212

Molecular Formula

C13H16N4O3S2 (C13 H16 N4 O3 S2)

Compound Name

N-[1-(3-METHOXYPYRAZIN-2-YL)PYRROLIDIN-3-YL]THIOPHENE-2-SULFONAMIDE

IUPAC name

N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-2-sulfonamide

SMILES

COc1nccnc1N(CC1)CC1NS(c1cccs1)(=O)=O

InChI

InChI=1S/C13H16N4O3S2/c1-20-13-12(14-5-6-15-13)17-7-4-10(9-17)16-22(18,19)11-3-2-8-21-11/h2-3,5-6,8,10,16H,4,7,9H2,1H3/t10-/m0/s1

InChI Key

LGJNAPBFFUWUNK-JTQLQIEISA-N

MDL Number (MFCD)

MFCD29032437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.892

Distribution Coefficient, logD

1.892

Water Solubility, LogSw

-2.42

Polar Surface Area

72.844

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

S064-0212 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S064-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S064-0212?
Check Price and Availability of S064-0212, 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 S064-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S064-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S064-0212
  • 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 S064-0212 available by request