S591-1368 Screening compound: 1-cyclohexanecarbonyl-N-ethyl-N-(oxan-4-yl)azetidin-3-amine

S591-1368 Screening compound: 1-cyclohexanecarbonyl-N-ethyl-N-(oxan-4-yl)azetidin-3-amine
S591-1368 Screening compound: 1-cyclohexanecarbonyl-N-ethyl-N-(oxan-4-yl)azetidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S591-1368
1-cyclohexanecarbonyl-N-ethyl-N-(oxan-4-yl)azetidin-3-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

S591-1368

Molecular Formula

C17H30N2O2 (C17 H30 N2 O2)

Compound Name

1-cyclohexanecarbonyl-N-ethyl-N-(oxan-4-yl)azetidin-3-amine

IUPAC name

1-cyclohexanecarbonyl-N-ethyl-N-(oxan-4-yl)azetidin-3-amine

SMILES

CCN(C(C1)CN1C(C1CCCCC1)=O)C1CCOCC1

InChI

InChI=1S/C17H30N2O2/c1-2-19(15-8-10-21-11-9-15)16-12-18(13-16)17(20)14-6-4-3-5-7-14/h14-16H,2-13H2,1H3

InChI Key

QYAJYYKTDPZTQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30463016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.383

Distribution Coefficient, logD

0.352

Water Solubility, LogSw

-2.07

Polar Surface Area

26.811

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

94.12

S591-1368 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S591-1368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S591-1368?
Check Price and Availability of S591-1368, 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 S591-1368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S591-1368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S591-1368
  • 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 S591-1368 available by request