F891-0794 Screening compound: N-(4-methyl-1,3-thiazol-2-yl)-1-({2-methyl-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]thiophen-3-yl}sulfonyl)piperidine-4-carboxamide

F891-0794 Screening compound: N-(4-methyl-1,3-thiazol-2-yl)-1-({2-methyl-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]thiophen-3-yl}sulfonyl)piperidine-4-carboxamide
F891-0794 Screening compound: N-(4-methyl-1,3-thiazol-2-yl)-1-({2-methyl-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]thiophen-3-yl}sulfonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F891-0794
N-(4-methyl-1,3-thiazol-2-yl)-1-({2-methyl-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]thiophen-3-yl}sulfonyl)piperidine-4-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

F891-0794

Molecular Formula

C20H25N5O4S3 (C20 H25 N5 O4 S3)

Compound Name

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

IUPAC name

N-(4-methyl-13-thiazol-2-yl)-1-({2-methyl-5-[5-(propan-2-yl)-124-oxadiazol-3-yl]thiophen-3-yl}sulfonyl)piperidine-4-carboxamide

SMILES

CC(C)c1nc(-c2cc(S(N(CC3)CCC3C(Nc3nc(C)cs3)=O)(=O)=O)c(C)s2)no1

InChI

InChI=1S/C20H25N5O4S3/c1-11(2)19-22-17(24-29-19)15-9-16(13(4)31-15)32(27,28)25-7-5-14(6-8-25)18(26)23-20-21-12(3)10-30-20/h9-11,14H,5-8H2,1-4H3,(H,21,23,26)

InChI Key

IFDRTSTXBUCLRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27201976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.65

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.232

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.03

Polar Surface Area

97.589

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F891-0794 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Anti-HIV1 Library (19540 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F891-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F891-0794?
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What is the minimum amount of F891-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F891-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F891-0794
  • 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 F891-0794 available by request