F540-0018 Screening compound: N-(2-pyridylmethyl)-4-(1-pyrrolidinylcarbonyl)-2-thiophenesulfonamide

F540-0018 Screening compound: N-(2-pyridylmethyl)-4-(1-pyrrolidinylcarbonyl)-2-thiophenesulfonamide
F540-0018 Screening compound: N-(2-pyridylmethyl)-4-(1-pyrrolidinylcarbonyl)-2-thiophenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F540-0018
N-(2-pyridylmethyl)-4-(1-pyrrolidinylcarbonyl)-2-thiophenesulfonamide

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

F540-0018

Molecular Formula

C15H17N3O3S2 (C15 H17 N3 O3 S2)

Compound Name

N-(2-pyridylmethyl)-4-(1-pyrrolidinylcarbonyl)-2-thiophenesulfonamide

IUPAC name

N-[(pyridin-2-yl)methyl]-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

SMILES

O=C(c1csc(S(NCc2ncccc2)(=O)=O)c1)N1CCCC1

InChI

InChI=1S/C15H17N3O3S2/c19-15(18-7-3-4-8-18)12-9-14(22-11-12)23(20,21)17-10-13-5-1-2-6-16-13/h1-2,5-6,9,11,17H,3-4,7-8,10H2

InChI Key

FUJSLQLRYSEEFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

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

1.350

Distribution Coefficient, logD

1.335

Water Solubility, LogSw

-2.45

Polar Surface Area

69.572

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

F540-0018 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F540-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F540-0018?
Check Price and Availability of F540-0018, 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 F540-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F540-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F540-0018
  • 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 F540-0018 available by request