S940-0323 Screening compound: 3-fluoro-4-[(3-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}azetidin-1-yl)methyl]pyridine

S940-0323 Screening compound: 3-fluoro-4-[(3-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}azetidin-1-yl)methyl]pyridine
S940-0323 Screening compound: 3-fluoro-4-[(3-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}azetidin-1-yl)methyl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S940-0323
3-fluoro-4-[(3-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}azetidin-1-yl)methyl]pyridine

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

S940-0323

Molecular Formula

C17H16FN5O (C17 H16 FN5 O)

Compound Name

3-fluoro-4-[(3-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}azetidin-1-yl)methyl]pyridine

IUPAC name

3-fluoro-4-[(3-{[3-(pyridin-4-yl)-124-oxadiazol-5-yl]methyl}azetidin-1-yl)methyl]pyridine

SMILES

Fc1c(CN2CC(Cc3nc(-c4ccncc4)no3)C2)ccnc1

InChI

InChI=1S/C17H16FN5O/c18-15-8-20-6-3-14(15)11-23-9-12(10-23)7-16-21-17(22-24-16)13-1-4-19-5-2-13/h1-6,8,12H,7,9-11H2

InChI Key

TXGGXKZCPTUMNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32000492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.348

Distribution Coefficient, logD

1.348

Water Solubility, LogSw

-2.13

Polar Surface Area

54.186

Acid Dissociation Constant (pKa)

25.00

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

S940-0323 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S940-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S940-0323?
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What is the minimum amount of S940-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S940-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S940-0323
  • 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 S940-0323 available by request