S688-0422 Screening compound: N-ETHYL-N'-{4-(2-METHOXYETHYL)-1-[(1-PHENYLCYCLOPROPYL)CARBONYL]-4-PIPERIDYL}UREA

S688-0422 Screening compound: N-ETHYL-N'-{4-(2-METHOXYETHYL)-1-[(1-PHENYLCYCLOPROPYL)CARBONYL]-4-PIPERIDYL}UREA
S688-0422 Screening compound: N-ETHYL-N'-{4-(2-METHOXYETHYL)-1-[(1-PHENYLCYCLOPROPYL)CARBONYL]-4-PIPERIDYL}UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-0422
N-ETHYL-N'-{4-(2-METHOXYETHYL)-1-[(1-PHENYLCYCLOPROPYL)CARBONYL]-4-PIPERIDYL}UREA

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

S688-0422

Molecular Formula

C21H31N3O3 (C21 H31 N3 O3)

Compound Name

N-ETHYL-N'-{4-(2-METHOXYETHYL)-1-[(1-PHENYLCYCLOPROPYL)CARBONYL]-4-PIPERIDYL}UREA

IUPAC name

3-ethyl-1-[4-(2-methoxyethyl)-1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]urea

SMILES

CCNC(NC(CCOC)(CC1)CCN1C(C1(CC1)c1ccccc1)=O)=O

InChI

InChI=1S/C21H31N3O3/c1-3-22-19(26)23-20(13-16-27-2)11-14-24(15-12-20)18(25)21(9-10-21)17-7-5-4-6-8-17/h4-8H,3,9-16H2,1-2H3,(H2,22,23,26)

InChI Key

KPFMMRZBQHQNIL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.832

Distribution Coefficient, logD

1.832

Water Solubility, LogSw

-2.15

Polar Surface Area

60.175

Acid Dissociation Constant (pKa)

17.31

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

S688-0422 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)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S688-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-0422?
Check Price and Availability of S688-0422, 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 S688-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-0422
  • 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 S688-0422 available by request