F894-2000 Screening compound: 1-{[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-N-(5-methylpyridin-2-yl)piperidine-3-carboxamide

F894-2000 Screening compound: 1-{[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-N-(5-methylpyridin-2-yl)piperidine-3-carboxamide
F894-2000 Screening compound: 1-{[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-N-(5-methylpyridin-2-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F894-2000
1-{[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-N-(5-methylpyridin-2-yl)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

F894-2000

Molecular Formula

C23H27N5O4S2 (C23 H27 N5 O4 S2)

Compound Name

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

IUPAC name

1-{[5-(5-cyclobutyl-124-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl}-N-(5-methylpyridin-2-yl)piperidine-3-carboxamide

SMILES

Cc(sc(-c1noc(C2CCC2)n1)c1)c1S(N(CCC1)CC1C(Nc1ncc(C)cc1)=O)(=O)=O

InChI

InChI=1S/C23H27N5O4S2/c1-14-8-9-20(24-12-14)25-22(29)17-7-4-10-28(13-17)34(30,31)19-11-18(33-15(19)2)21-26-23(32-27-21)16-5-3-6-16/h8-9,11-12,16-17H,3-7,10,13H2,1-2H3,(H,24,25,29)/t17-/m0/s1

InChI Key

GJCXOAUPBSMVJG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27202640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.63

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

4.192

Distribution Coefficient, logD

4.187

Water Solubility, LogSw

-4.08

Polar Surface Area

97.626

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

F894-2000 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F894-2000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F894-2000?
Check Price and Availability of F894-2000, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F894-2000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F894-2000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F894-2000
  • 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 F894-2000 available by request