F894-0489 Screening compound: N-(2,4-dimethylphenyl)-1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}piperidine-3-carboxamide

F894-0489 Screening compound: N-(2,4-dimethylphenyl)-1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}piperidine-3-carboxamide
F894-0489 Screening compound: N-(2,4-dimethylphenyl)-1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F894-0489
N-(2,4-dimethylphenyl)-1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}piperidine-3-carboxamide

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

F894-0489

Molecular Formula

C23H28N4O4S2 (C23 H28 N4 O4 S2)

Compound Name

N-(2,4-dimethylphenyl)-1-{[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}piperidine-3-carboxamide

IUPAC name

N-(24-dimethylphenyl)-1-{[5-(5-ethyl-124-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}piperidine-3-carboxamide

SMILES

CCc1nc(-c2cc(S(N(CCC3)CC3C(Nc3c(C)cc(C)cc3)=O)(=O)=O)c(C)s2)no1

InChI

InChI=1S/C23H28N4O4S2/c1-5-21-25-22(26-31-21)19-12-20(16(4)32-19)33(29,30)27-10-6-7-17(13-27)23(28)24-18-9-8-14(2)11-15(18)3/h8-9,11-12,17H,5-7,10,13H2,1-4H3,(H,24,28)/t17-/m0/s1

InChI Key

NJXORTFQOIMXKK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27202522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.538

Distribution Coefficient, logD

4.538

Water Solubility, LogSw

-4.15

Polar Surface Area

86.638

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

F894-0489 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with F894-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F894-0489?
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What is the minimum amount of F894-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F894-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F894-0489
  • 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 F894-0489 available by request