S333-0931 Screening compound: 2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(propan-2-yl)acetamide

S333-0931 Screening compound: 2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(propan-2-yl)acetamide
S333-0931 Screening compound: 2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S333-0931
2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(propan-2-yl)acetamide

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

S333-0931

Molecular Formula

C18H19FN4O3 (C18 H19 FN4 O3)

Compound Name

2-{2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(propan-2-yl)acetamide

IUPAC name

2-{2-[3-(3-fluoro-4-methoxyphenyl)-124-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(Cn1c(-c2nc(-c(cc3)cc(F)c3OC)no2)ccc1)=O

InChI

InChI=1S/C18H19FN4O3/c1-11(2)20-16(24)10-23-8-4-5-14(23)18-21-17(22-26-18)12-6-7-15(25-3)13(19)9-12/h4-9,11H,10H2,1-3H3,(H,20,24)

InChI Key

UYFREYJYHCHKBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28041702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.456

Distribution Coefficient, logD

3.456

Water Solubility, LogSw

-3.77

Polar Surface Area

64.581

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

S333-0931 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S333-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S333-0931?
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What is the minimum amount of S333-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S333-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S333-0931
  • 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 S333-0931 available by request