S059-0162 Screening compound: N-[1-(1-ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]pyridin-3-amine

S059-0162 Screening compound: N-[1-(1-ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]pyridin-3-amine
S059-0162 Screening compound: N-[1-(1-ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]pyridin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S059-0162
N-[1-(1-ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]pyridin-3-amine

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

S059-0162

Molecular Formula

C15H19N5O (C15 H19 N5 O)

Compound Name

N-[1-(1-ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]pyridin-3-amine

IUPAC name

n/a

SMILES

CCn1nccc1C(N(CC1)CC1Nc1cnccc1)=O

InChI

InChI=1S/C15H19N5O/c1-2-20-14(5-8-17-20)15(21)19-9-6-13(11-19)18-12-4-3-7-16-10-12/h3-5,7-8,10,13,18H,2,6,9,11H2,1H3/t13-/m1/s1

InChI Key

HEOLPNMSBKLCNU-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29030797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.784

Distribution Coefficient, logD

0.634

Water Solubility, LogSw

-1.05

Polar Surface Area

49.561

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S059-0162 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S059-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S059-0162?
Check Price and Availability of S059-0162, 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 S059-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S059-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S059-0162
  • 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 S059-0162 available by request