S035-1338 Screening compound: N-[2-(1-methyl-1H-pyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

S035-1338 Screening compound: N-[2-(1-methyl-1H-pyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
S035-1338 Screening compound: N-[2-(1-methyl-1H-pyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S035-1338
N-[2-(1-methyl-1H-pyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-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

S035-1338

Molecular Formula

C16H19N3O3S2 (C16 H19 N3 O3 S2)

Compound Name

N-[2-(1-methyl-1H-pyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

IUPAC name

N-[(1S4S5S)-2-(1-methyl-1H-pyrrole-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide

SMILES

Cn1c(C(N(C[C@@H]2C3)[C@@H]3C[C@@H]2NS(c2cccs2)(=O)=O)=O)ccc1

InChI

InChI=1S/C16H19N3O3S2/c1-18-6-2-4-14(18)16(20)19-10-11-8-12(19)9-13(11)17-24(21,22)15-5-3-7-23-15/h2-7,11-13,17H,8-10H2,1H3/t11-,12-,13-/m0/s1

InChI Key

BVFYAGFDVASWIR-AVGNSLFASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.246

Distribution Coefficient, logD

2.245

Water Solubility, LogSw

-2.69

Polar Surface Area

62.269

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

43.80

S035-1338 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with S035-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S035-1338?
Check Price and Availability of S035-1338, 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 S035-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S035-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S035-1338
  • 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 S035-1338 available by request