S035-0987 Screening compound: N-{2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-sulfonamide

S035-0987 Screening compound: N-{2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-sulfonamide
S035-0987 Screening compound: N-{2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S035-0987
N-{2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-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

S035-0987

Molecular Formula

C17H16F3N3O3S2 (C17 H16 F3 N3 O3 S2)

Compound Name

N-{2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-sulfonamide

IUPAC name

N-[(1S4S5S)-2-[5-(trifluoromethyl)thiophene-2-carbonyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide

SMILES

O=C(c1ccc(C(F)(F)F)s1)N(C[C@@H]1C2)[C@@H]2C[C@@H]1NS(c1cnccc1)(=O)=O

InChI

InChI=1S/C17H16F3N3O3S2/c18-17(19,20)15-4-3-14(27-15)16(24)23-9-10-6-11(23)7-13(10)22-28(25,26)12-2-1-5-21-8-12/h1-5,8,10-11,13,22H,6-7,9H2/t10-,11-,13-/m0/s1

InChI Key

UMJOVVSPNGCXKN-GVXVVHGQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.936

Distribution Coefficient, logD

2.936

Water Solubility, LogSw

-3.20

Polar Surface Area

69.370

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

41.20

S035-0987 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)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S035-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S035-0987?
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What is the minimum amount of S035-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S035-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S035-0987
  • 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 S035-0987 available by request