S623-1058 Screening compound: N-ethyl-1-methyl-N-[1-(1-phenylcyclopropanecarbonyl)azetidin-3-yl]piperidin-4-amine

S623-1058 Screening compound: N-ethyl-1-methyl-N-[1-(1-phenylcyclopropanecarbonyl)azetidin-3-yl]piperidin-4-amine
S623-1058 Screening compound: N-ethyl-1-methyl-N-[1-(1-phenylcyclopropanecarbonyl)azetidin-3-yl]piperidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S623-1058
N-ethyl-1-methyl-N-[1-(1-phenylcyclopropanecarbonyl)azetidin-3-yl]piperidin-4-amine

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

S623-1058

Molecular Formula

C21H31N3O (C21 H31 N3 O)

Compound Name

N-ethyl-1-methyl-N-[1-(1-phenylcyclopropanecarbonyl)azetidin-3-yl]piperidin-4-amine

IUPAC name

N-ethyl-1-methyl-N-[1-(1-phenylcyclopropanecarbonyl)azetidin-3-yl]piperidin-4-amine

SMILES

CCN(C(C1)CN1C(C1(CC1)c1ccccc1)=O)C1CCN(C)CC1

InChI

InChI=1S/C21H31N3O/c1-3-24(18-9-13-22(2)14-10-18)19-15-23(16-19)20(25)21(11-12-21)17-7-5-4-6-8-17/h4-8,18-19H,3,9-16H2,1-2H3

InChI Key

DMLXMURDRTVHKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31985469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

0.480

Water Solubility, LogSw

-2.20

Polar Surface Area

22.438

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

9.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

S623-1058 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S623-1058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S623-1058?
Check Price and Availability of S623-1058, 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 S623-1058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S623-1058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S623-1058
  • 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 S623-1058 available by request