S059-0181 Screening compound: N~1~-ethyl-3-(3-pyridylamino)-1-pyrrolidinecarboxamide

S059-0181 Screening compound: N~1~-ethyl-3-(3-pyridylamino)-1-pyrrolidinecarboxamide
S059-0181 Screening compound: N~1~-ethyl-3-(3-pyridylamino)-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S059-0181
N~1~-ethyl-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

S059-0181

Molecular Formula

C12H18N4O (C12 H18 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CCNC(N(CC1)CC1Nc1cnccc1)=O

InChI

InChI=1S/C12H18N4O/c1-2-14-12(17)16-7-5-11(9-16)15-10-4-3-6-13-8-10/h3-4,6,8,11,15H,2,5,7,9H2,1H3,(H,14,17)/t11-/m1/s1

InChI Key

CKDSKKIWODHADK-LLVKDONJSA-N

MDL Number (MFCD)

MFCD29030800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.3

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

0.870

Distribution Coefficient, logD

0.720

Water Solubility, LogSw

-1.08

Polar Surface Area

46.512

Acid Dissociation Constant (pKa)

16.62

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S059-0181 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S059-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S059-0181?
Check Price and Availability of S059-0181, 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 S059-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S059-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S059-0181
  • 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 S059-0181 available by request