S690-0754 Screening compound: N-(3-methoxypropyl)-4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carboxamide

S690-0754 Screening compound: N-(3-methoxypropyl)-4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carboxamide
S690-0754 Screening compound: N-(3-methoxypropyl)-4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-0754
N-(3-methoxypropyl)-4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-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

S690-0754

Molecular Formula

C22H33N3O3 (C22 H33 N3 O3)

Compound Name

N-(3-methoxypropyl)-4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carboxamide

IUPAC name

N-(3-methoxypropyl)-4-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}piperidine-1-carboxamide

SMILES

COCCCNC(N1CCC(Cc(cc2)ccc2C(N2CCCC2)=O)CC1)=O

InChI

InChI=1S/C22H33N3O3/c1-28-16-4-11-23-22(27)25-14-9-19(10-15-25)17-18-5-7-20(8-6-18)21(26)24-12-2-3-13-24/h5-8,19H,2-4,9-17H2,1H3,(H,23,27)

InChI Key

RLKIGHMHUGJZBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31996842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.861

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-3.17

Polar Surface Area

52.228

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.64

S690-0754 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S690-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-0754?
Check Price and Availability of S690-0754, 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 S690-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-0754
  • 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 S690-0754 available by request