S591-1078 Screening compound: N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)azetidin-3-amine

S591-1078 Screening compound: N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)azetidin-3-amine
S591-1078 Screening compound: N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)azetidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S591-1078
N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-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

S591-1078

Molecular Formula

C19H27FN2O (C19 H27 FN2 O)

Compound Name

N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)azetidin-3-amine

IUPAC name

N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)azetidin-3-amine

SMILES

Fc1c(CN(C2)CC2N(CC2CC2)C2CCOCC2)cccc1

InChI

InChI=1S/C19H27FN2O/c20-19-4-2-1-3-16(19)12-21-13-18(14-21)22(11-15-5-6-15)17-7-9-23-10-8-17/h1-4,15,17-18H,5-14H2

InChI Key

SGCMURZXCTYEFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32010636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

-1.382

Water Solubility, LogSw

-3.00

Polar Surface Area

14.230

Acid Dissociation Constant (pKa)

26.24

Base Dissociation Constant (pKb)

12.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.42

S591-1078 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S591-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S591-1078?
Check Price and Availability of S591-1078, 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 S591-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S591-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S591-1078
  • 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 S591-1078 available by request