S738-1349 Screening compound: 2-(4-fluorophenoxy)-1-[3-(5-methyl-1-propyl-1H-imidazol-2-yl)azetidin-1-yl]ethan-1-one

S738-1349 Screening compound: 2-(4-fluorophenoxy)-1-[3-(5-methyl-1-propyl-1H-imidazol-2-yl)azetidin-1-yl]ethan-1-one
S738-1349 Screening compound: 2-(4-fluorophenoxy)-1-[3-(5-methyl-1-propyl-1H-imidazol-2-yl)azetidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S738-1349
2-(4-fluorophenoxy)-1-[3-(5-methyl-1-propyl-1H-imidazol-2-yl)azetidin-1-yl]ethan-1-one

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

S738-1349

Molecular Formula

C18H22FN3O2 (C18 H22 FN3 O2)

Compound Name

2-(4-fluorophenoxy)-1-[3-(5-methyl-1-propyl-1H-imidazol-2-yl)azetidin-1-yl]ethan-1-one

IUPAC name

2-(4-fluorophenoxy)-1-[3-(5-methyl-1-propyl-1H-imidazol-2-yl)azetidin-1-yl]ethan-1-one

SMILES

CCCn1c(C(C2)CN2C(COc(cc2)ccc2F)=O)ncc1C

InChI

InChI=1S/C18H22FN3O2/c1-3-8-22-13(2)9-20-18(22)14-10-21(11-14)17(23)12-24-16-6-4-15(19)5-7-16/h4-7,9,14H,3,8,10-12H2,1-2H3

InChI Key

WEMTUSNBAGEDGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31975467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.355

Distribution Coefficient, logD

0.383

Water Solubility, LogSw

-2.25

Polar Surface Area

35.220

Acid Dissociation Constant (pKa)

24.00

Base Dissociation Constant (pKb)

9.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

S738-1349 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S738-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S738-1349?
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What is the minimum amount of S738-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S738-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S738-1349
  • 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 S738-1349 available by request