S059-0022 Screening compound: [3-(3-pyridylamino)-1-pyrrolidinyl](2-thienyl)methanone

S059-0022 Screening compound: [3-(3-pyridylamino)-1-pyrrolidinyl](2-thienyl)methanone
S059-0022 Screening compound: [3-(3-pyridylamino)-1-pyrrolidinyl](2-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S059-0022
[3-(3-pyridylamino)-1-pyrrolidinyl](2-thienyl)methanone

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

S059-0022

Molecular Formula

C14H15N3OS (C14 H15 N3 OS)

Compound Name

[3-(3-pyridylamino)-1-pyrrolidinyl](2-thienyl)methanone

IUPAC name

N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]pyridin-3-amine

SMILES

O=C(c1cccs1)N(CC1)CC1Nc1cnccc1

InChI

InChI=1S/C14H15N3OS/c18-14(13-4-2-8-19-13)17-7-5-12(10-17)16-11-3-1-6-15-9-11/h1-4,6,8-9,12,16H,5,7,10H2/t12-/m1/s1

InChI Key

UWPOUTQSLYAWHU-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD30462303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.981

Distribution Coefficient, logD

1.832

Water Solubility, LogSw

-1.85

Polar Surface Area

37.490

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

S059-0022 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S059-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S059-0022?
Check Price and Availability of S059-0022, 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 S059-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S059-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S059-0022
  • 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 S059-0022 available by request