S824-2046 Screening compound: 2-ethoxy-1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one

S824-2046 Screening compound: 2-ethoxy-1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one
S824-2046 Screening compound: 2-ethoxy-1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-2046
2-ethoxy-1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one

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

S824-2046

Molecular Formula

C14H20N2O3 (C14 H20 N2 O3)

Compound Name

2-ethoxy-1-[3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one

IUPAC name

2-ethoxy-1-[(3S4R)-3-(hydroxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]ethan-1-one

SMILES

CCOCC(N(C[C@@H]1CO)C[C@@H]1c1ccncc1)=O

InChI

InChI=1S/C14H20N2O3/c1-2-19-10-14(18)16-7-12(9-17)13(8-16)11-3-5-15-6-4-11/h3-6,12-13,17H,2,7-10H2,1H3/t12-,13-/m0/s1

InChI Key

DLNHUWWCUPIIPZ-STQMWFEESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.059

Distribution Coefficient, logD

-0.167

Water Solubility, LogSw

-1.27

Polar Surface Area

51.194

Acid Dissociation Constant (pKa)

16.52

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.14

S824-2046 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S824-2046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-2046?
Check Price and Availability of S824-2046, 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 S824-2046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-2046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-2046
  • 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 S824-2046 available by request