S333-0465 Screening compound: 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(3-fluoro-4-methylphenyl)acetamide

S333-0465 Screening compound: 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(3-fluoro-4-methylphenyl)acetamide
S333-0465 Screening compound: 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(3-fluoro-4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S333-0465
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(3-fluoro-4-methylphenyl)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

S333-0465

Molecular Formula

C22H17FN4O4 (C22 H17 FN4 O4)

Compound Name

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

IUPAC name

2-{2-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(3-fluoro-4-methylphenyl)acetamide

SMILES

Cc(ccc(NC(Cn1c(-c2nc(-c(cc3)cc4c3OCO4)no2)ccc1)=O)c1)c1F

InChI

InChI=1S/C22H17FN4O4/c1-13-4-6-15(10-16(13)23)24-20(28)11-27-8-2-3-17(27)22-25-21(26-31-22)14-5-7-18-19(9-14)30-12-29-18/h2-10H,11-12H2,1H3,(H,24,28)

InChI Key

KUXXZTNEYWZRQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18196432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.255

Distribution Coefficient, logD

5.255

Water Solubility, LogSw

-5.08

Polar Surface Area

73.498

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

S333-0465 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S333-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S333-0465?
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What is the minimum amount of S333-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S333-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S333-0465
  • 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 S333-0465 available by request