S724-0380 Screening compound: 1-[1-(3-fluoro-4-methoxybenzoyl)azetidin-3-yl]-4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazole

S724-0380 Screening compound: 1-[1-(3-fluoro-4-methoxybenzoyl)azetidin-3-yl]-4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazole
S724-0380 Screening compound: 1-[1-(3-fluoro-4-methoxybenzoyl)azetidin-3-yl]-4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S724-0380
1-[1-(3-fluoro-4-methoxybenzoyl)azetidin-3-yl]-4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazole

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

S724-0380

Molecular Formula

C18H20FN5O3 (C18 H20 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(N(C1)CC1n1nnc(C(N2CCCC2)=O)c1)=O)c1)c1F

InChI

InChI=1S/C18H20FN5O3/c1-27-16-5-4-12(8-14(16)19)17(25)23-9-13(10-23)24-11-15(20-21-24)18(26)22-6-2-3-7-22/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3

InChI Key

OHKXHAPSCHKAJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.783

Distribution Coefficient, logD

0.783

Water Solubility, LogSw

-1.47

Polar Surface Area

67.735

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

S724-0380 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S724-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S724-0380?
Check Price and Availability of S724-0380, 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 S724-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S724-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S724-0380
  • 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 S724-0380 available by request