S724-0698 Screening compound: 4-{1-[1-(3-fluoro-4-methoxybenzoyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carbonyl}morpholine

S724-0698 Screening compound: 4-{1-[1-(3-fluoro-4-methoxybenzoyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carbonyl}morpholine
S724-0698 Screening compound: 4-{1-[1-(3-fluoro-4-methoxybenzoyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carbonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S724-0698
4-{1-[1-(3-fluoro-4-methoxybenzoyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carbonyl}morpholine

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

S724-0698

Molecular Formula

C18H20FN5O4 (C18 H20 FN5 O4)

Compound Name

4-{1-[1-(3-fluoro-4-methoxybenzoyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carbonyl}morpholine

IUPAC name

4-{1-[1-(3-fluoro-4-methoxybenzoyl)azetidin-3-yl]-1H-123-triazole-4-carbonyl}morpholine

SMILES

COc(ccc(C(N(C1)CC1n1nnc(C(N2CCOCC2)=O)c1)=O)c1)c1F

InChI

InChI=1S/C18H20FN5O4/c1-27-16-3-2-12(8-14(16)19)17(25)23-9-13(10-23)24-11-15(20-21-24)18(26)22-4-6-28-7-5-22/h2-3,8,11,13H,4-7,9-10H2,1H3

InChI Key

SXWSRRBEEVENNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31987331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.089

Distribution Coefficient, logD

-0.089

Water Solubility, LogSw

-1.34

Polar Surface Area

75.278

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

S724-0698 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S724-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S724-0698?
Check Price and Availability of S724-0698, 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 S724-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S724-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S724-0698
  • 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 S724-0698 available by request