S721-0754 Screening compound: 2-ethoxy-1-[4-(pyridin-3-yloxy)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethan-1-one

S721-0754 Screening compound: 2-ethoxy-1-[4-(pyridin-3-yloxy)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethan-1-one
S721-0754 Screening compound: 2-ethoxy-1-[4-(pyridin-3-yloxy)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-0754
2-ethoxy-1-[4-(pyridin-3-yloxy)-2-(pyrrolidine-1-carbonyl)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

S721-0754

Molecular Formula

C18H25N3O4 (C18 H25 N3 O4)

Compound Name

2-ethoxy-1-[4-(pyridin-3-yloxy)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethan-1-one

IUPAC name

2-ethoxy-1-[(2S4S)-4-(pyridin-3-yloxy)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethan-1-one

SMILES

CCOCC(N(C[C@H](C1)Oc2cnccc2)[C@@H]1C(N1CCCC1)=O)=O

InChI

InChI=1S/C18H25N3O4/c1-2-24-13-17(22)21-12-15(25-14-6-5-7-19-11-14)10-16(21)18(23)20-8-3-4-9-20/h5-7,11,15-16H,2-4,8-10,12-13H2,1H3/t15-,16+/m1/s1

InChI Key

QRJLDDSBTCKJSJ-CVEARBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.722

Distribution Coefficient, logD

0.710

Water Solubility, LogSw

-0.60

Polar Surface Area

57.477

Acid Dissociation Constant (pKa)

19.81

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.11

S721-0754 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S721-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-0754?
Check Price and Availability of S721-0754, 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 S721-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-0754
  • 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 S721-0754 available by request