8013-5994 Screening compound: 1-(4-fluorophenyl)-3-(4-methoxyphenoxy)-4-(4-methylphenyl)azetidin-2-one

8013-5994 Screening compound: 1-(4-fluorophenyl)-3-(4-methoxyphenoxy)-4-(4-methylphenyl)azetidin-2-one
8013-5994 Screening compound: 1-(4-fluorophenyl)-3-(4-methoxyphenoxy)-4-(4-methylphenyl)azetidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5994
1-(4-fluorophenyl)-3-(4-methoxyphenoxy)-4-(4-methylphenyl)azetidin-2-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

8013-5994

Molecular Formula

C23H20FNO3 (C23 H20 FNO3)

Compound Name

1-(4-fluorophenyl)-3-(4-methoxyphenoxy)-4-(4-methylphenyl)azetidin-2-one

IUPAC name

1-(4-fluorophenyl)-3-(4-methoxyphenoxy)-4-(4-methylphenyl)azetidin-2-one

SMILES

Cc1ccc(C(C(C2=O)Oc(cc3)ccc3OC)N2c(cc2)ccc2F)cc1

InChI

InChI=1S/C23H20FNO3/c1-15-3-5-16(6-4-15)21-22(28-20-13-11-19(27-2)12-14-20)23(26)25(21)18-9-7-17(24)8-10-18/h3-14,21-22H,1-2H3

InChI Key

GKPLVSYLGAWFIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03632683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.619

Distribution Coefficient, logD

4.619

Water Solubility, LogSw

-4.46

Polar Surface Area

29.334

Acid Dissociation Constant (pKa)

19.75

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

8013-5994 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Cardiovascular Library (22201 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8013-5994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5994?
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What is the minimum amount of 8013-5994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5994
  • 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 8013-5994 available by request