S825-0176 Screening compound: 1-[1-(4-ethylbenzoyl)piperidin-4-yl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

S825-0176 Screening compound: 1-[1-(4-ethylbenzoyl)piperidin-4-yl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
S825-0176 Screening compound: 1-[1-(4-ethylbenzoyl)piperidin-4-yl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S825-0176
1-[1-(4-ethylbenzoyl)piperidin-4-yl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

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

S825-0176

Molecular Formula

C20H29N3O3 (C20 H29 N3 O3)

Compound Name

1-[1-(4-ethylbenzoyl)piperidin-4-yl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

IUPAC name

(2S4R)-1-[1-(4-ethylbenzoyl)piperidin-4-yl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

SMILES

CCc(cc1)ccc1C(N(CC1)CCC1N(C[C@@H](C1)O)[C@@H]1C(NC)=O)=O

InChI

InChI=1S/C20H29N3O3/c1-3-14-4-6-15(7-5-14)20(26)22-10-8-16(9-11-22)23-13-17(24)12-18(23)19(25)21-2/h4-7,16-18,24H,3,8-13H2,1-2H3,(H,21,25)/t17-,18-/m0/s1

InChI Key

ZKELWSNZQITSSS-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.299

Distribution Coefficient, logD

1.077

Water Solubility, LogSw

-2.10

Polar Surface Area

60.531

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

S825-0176 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S825-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S825-0176?
Check Price and Availability of S825-0176, 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 S825-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S825-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S825-0176
  • 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 S825-0176 available by request