S056-0348 Screening compound: N~3~-{1-[(6-methoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}-3-thiophenecarboxamide

S056-0348 Screening compound: N~3~-{1-[(6-methoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}-3-thiophenecarboxamide
S056-0348 Screening compound: N~3~-{1-[(6-methoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}-3-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0348
N~3~-{1-[(6-methoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}-3-thiophenecarboxamide

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

S056-0348

Molecular Formula

C16H19N3O2S (C16 H19 N3 O2 S)

Compound Name

N~3~-{1-[(6-methoxy-3-pyridyl)methyl]tetrahydro-1H-pyrrol-3-yl}-3-thiophenecarboxamide

IUPAC name

n/a

SMILES

COc1ncc(CN(CC2)CC2NC(c2cscc2)=O)cc1

InChI

InChI=1S/C16H19N3O2S/c1-21-15-3-2-12(8-17-15)9-19-6-4-14(10-19)18-16(20)13-5-7-22-11-13/h2-3,5,7-8,11,14H,4,6,9-10H2,1H3,(H,18,20)/t14-/m0/s1

InChI Key

XUXOGHVEQJDVQF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29031473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.644

Distribution Coefficient, logD

1.451

Water Solubility, LogSw

-2.36

Polar Surface Area

45.817

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S056-0348 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S056-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0348?
Check Price and Availability of S056-0348, 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 S056-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0348
  • 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 S056-0348 available by request