S333-0933 Screening compound: 2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

S333-0933 Screening compound: 2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one
S333-0933 Screening compound: 2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S333-0933
2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-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

S333-0933

Molecular Formula

C24H21FN4O4 (C24 H21 FN4 O4)

Compound Name

2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

IUPAC name

2-{2-[3-(3-fluoro-4-methoxyphenyl)-124-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)ethan-1-one

SMILES

Cc(cc1)cc2c1OCCN2C(Cn1c(-c2nc(-c(cc3)cc(F)c3OC)no2)ccc1)=O

InChI

InChI=1S/C24H21FN4O4/c1-15-5-7-21-19(12-15)29(10-11-32-21)22(30)14-28-9-3-4-18(28)24-26-23(27-33-24)16-6-8-20(31-2)17(25)13-16/h3-9,12-13H,10-11,14H2,1-2H3

InChI Key

LILSXIFFAKDOIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28041740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.45

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

4.668

Distribution Coefficient, logD

4.668

Water Solubility, LogSw

-4.49

Polar Surface Area

63.872

Acid Dissociation Constant (pKa)

21.16

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

S333-0933 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S333-0933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S333-0933?
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What is the minimum amount of S333-0933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S333-0933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S333-0933
  • 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 S333-0933 available by request