S727-0368 Screening compound: 3-(3-{4-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-1-yl}azetidine-1-carbonyl)-6-methylpyridin-2-ol

S727-0368 Screening compound: 3-(3-{4-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-1-yl}azetidine-1-carbonyl)-6-methylpyridin-2-ol
S727-0368 Screening compound: 3-(3-{4-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-1-yl}azetidine-1-carbonyl)-6-methylpyridin-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S727-0368
3-(3-{4-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-1-yl}azetidine-1-carbonyl)-6-methylpyridin-2-ol

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

S727-0368

Molecular Formula

C19H18FN5O3 (C19 H18 FN5 O3)

Compound Name

3-(3-{4-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-1-yl}azetidine-1-carbonyl)-6-methylpyridin-2-ol

IUPAC name

3-(3-{4-[(4-fluorophenoxy)methyl]-1H-123-triazol-1-yl}azetidine-1-carbonyl)-6-methylpyridin-2-ol

SMILES

Cc(cc1)nc(O)c1C(N(C1)CC1n1nnc(COc(cc2)ccc2F)c1)=O

InChI

InChI=1S/C19H18FN5O3/c1-12-2-7-17(18(26)21-12)19(27)24-9-15(10-24)25-8-14(22-23-25)11-28-16-5-3-13(20)4-6-16/h2-8,15H,9-11H2,1H3,(H,21,26)

InChI Key

MRLYWINMIQHLSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32010998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.348

Distribution Coefficient, logD

1.339

Water Solubility, LogSw

-2.10

Polar Surface Area

76.196

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

S727-0368 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S727-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S727-0368?
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What is the minimum amount of S727-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S727-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S727-0368
  • 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 S727-0368 available by request