S056-0454 Screening compound: 2-acetamido-N-{1-[(6-ethoxypyridin-3-yl)methyl]pyrrolidin-3-yl}acetamide

S056-0454 Screening compound: 2-acetamido-N-{1-[(6-ethoxypyridin-3-yl)methyl]pyrrolidin-3-yl}acetamide
S056-0454 Screening compound: 2-acetamido-N-{1-[(6-ethoxypyridin-3-yl)methyl]pyrrolidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0454
2-acetamido-N-{1-[(6-ethoxypyridin-3-yl)methyl]pyrrolidin-3-yl}acetamide

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

S056-0454

Molecular Formula

C16H24N4O3 (C16 H24 N4 O3)

Compound Name

2-acetamido-N-{1-[(6-ethoxypyridin-3-yl)methyl]pyrrolidin-3-yl}acetamide

IUPAC name

2-acetamido-N-{1-[(6-ethoxypyridin-3-yl)methyl]pyrrolidin-3-yl}acetamide

SMILES

CCOc1ncc(CN(CC2)CC2NC(CNC(C)=O)=O)cc1

InChI

InChI=1S/C16H24N4O3/c1-3-23-16-5-4-13(8-18-16)10-20-7-6-14(11-20)19-15(22)9-17-12(2)21/h4-5,8,14H,3,6-7,9-11H2,1-2H3,(H,17,21)(H,19,22)/t14-/m0/s1

InChI Key

LMXWIWIJVCAADV-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29030851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.068

Distribution Coefficient, logD

-0.442

Water Solubility, LogSw

-1.81

Polar Surface Area

69.021

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

7.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

References: we are preparing a list of scientific research reports with S056-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0454?
Check Price and Availability of S056-0454, 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 S056-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0454
  • 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 S056-0454 available by request