S059-0175 Screening compound: N~1~-cyclohexyl-3-(3-pyridylamino)-1-pyrrolidinecarboxamide

S059-0175 Screening compound: N~1~-cyclohexyl-3-(3-pyridylamino)-1-pyrrolidinecarboxamide
S059-0175 Screening compound: N~1~-cyclohexyl-3-(3-pyridylamino)-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S059-0175
N~1~-cyclohexyl-3-(3-pyridylamino)-1-pyrrolidinecarboxamide

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

S059-0175

Molecular Formula

C16H24N4O (C16 H24 N4 O)

Compound Name

N~1~-cyclohexyl-3-(3-pyridylamino)-1-pyrrolidinecarboxamide

IUPAC name

N-cyclohexyl-3-[(pyridin-3-yl)amino]pyrrolidine-1-carboxamide

SMILES

O=C(NC1CCCCC1)N(CC1)CC1Nc1cnccc1

InChI

InChI=1S/C16H24N4O/c21-16(19-13-5-2-1-3-6-13)20-10-8-15(12-20)18-14-7-4-9-17-11-14/h4,7,9,11,13,15,18H,1-3,5-6,8,10,12H2,(H,19,21)/t15-/m1/s1

InChI Key

SPONHJJZYPZIIH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29031176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.569

Distribution Coefficient, logD

2.420

Water Solubility, LogSw

-2.27

Polar Surface Area

46.340

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S059-0175 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S059-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S059-0175?
Check Price and Availability of S059-0175, 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 S059-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S059-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S059-0175
  • 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 S059-0175 available by request