F894-0941 Screening compound: 1-({2-methyl-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]thiophen-3-yl}sulfonyl)-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide

F894-0941 Screening compound: 1-({2-methyl-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]thiophen-3-yl}sulfonyl)-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide
F894-0941 Screening compound: 1-({2-methyl-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]thiophen-3-yl}sulfonyl)-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F894-0941
1-({2-methyl-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]thiophen-3-yl}sulfonyl)-N-[(thiophen-2-yl)methyl]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

F894-0941

Molecular Formula

C21H26N4O4S3 (C21 H26 N4 O4 S3)

Compound Name

1-({2-methyl-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]thiophen-3-yl}sulfonyl)-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide

IUPAC name

1-({2-methyl-5-[5-(propan-2-yl)-124-oxadiazol-3-yl]thiophen-3-yl}sulfonyl)-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide

SMILES

CC(C)c1nc(-c2cc(S(N(CCC3)CC3C(NCc3cccs3)=O)(=O)=O)c(C)s2)no1

InChI

InChI=1S/C21H26N4O4S3/c1-13(2)21-23-19(24-29-21)17-10-18(14(3)31-17)32(27,28)25-8-4-6-15(12-25)20(26)22-11-16-7-5-9-30-16/h5,7,9-10,13,15H,4,6,8,11-12H2,1-3H3,(H,22,26)/t15-/m0/s1

InChI Key

NVPDPBVFCBLSSV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27202549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.07

Polar Surface Area

90.010

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

F894-0941 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • 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 F894-0941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F894-0941?
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What is the minimum amount of F894-0941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F894-0941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F894-0941
  • 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 F894-0941 available by request