S725-1114 Screening compound: N-benzyl-4-(cyclopropylmethyl)-4-[(ethylcarbamoyl)amino]piperidine-1-carboxamide

S725-1114 Screening compound: N-benzyl-4-(cyclopropylmethyl)-4-[(ethylcarbamoyl)amino]piperidine-1-carboxamide
S725-1114 Screening compound: N-benzyl-4-(cyclopropylmethyl)-4-[(ethylcarbamoyl)amino]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S725-1114
N-benzyl-4-(cyclopropylmethyl)-4-[(ethylcarbamoyl)amino]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

S725-1114

Molecular Formula

C20H30N4O2 (C20 H30 N4 O2)

Compound Name

N-benzyl-4-(cyclopropylmethyl)-4-[(ethylcarbamoyl)amino]piperidine-1-carboxamide

IUPAC name

N-benzyl-4-(cyclopropylmethyl)-4-[(ethylcarbamoyl)amino]piperidine-1-carboxamide

SMILES

CCNC(NC(CC1CC1)(CC1)CCN1C(NCc1ccccc1)=O)=O

InChI

InChI=1S/C20H30N4O2/c1-2-21-18(25)23-20(14-16-8-9-16)10-12-24(13-11-20)19(26)22-15-17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3,(H,22,26)(H2,21,23,25)

InChI Key

ZFTPTHZNSVNVID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31994226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.306

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-2.75

Polar Surface Area

61.976

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

S725-1114 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S725-1114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S725-1114?
Check Price and Availability of S725-1114, 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 S725-1114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S725-1114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S725-1114
  • 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 S725-1114 available by request