F894-0010 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl}piperidine-3-carboxamide

F894-0010 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl}piperidine-3-carboxamide
F894-0010 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F894-0010
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-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

F894-0010

Molecular Formula

C22H30N4O4S2 (C22 H30 N4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(sc(-c1noc(C)n1)c1)c1S(N(CCC1)CC1C(NCCC1=CCCCC1)=O)(=O)=O

InChI

InChI=1S/C22H30N4O4S2/c1-15-20(13-19(31-15)21-24-16(2)30-25-21)32(28,29)26-12-6-9-18(14-26)22(27)23-11-10-17-7-4-3-5-8-17/h7,13,18H,3-6,8-12,14H2,1-2H3,(H,23,27)/t18-/m0/s1

InChI Key

MEZWOZXZSNIAGE-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27202426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.64

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

3.339

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.59

Polar Surface Area

88.253

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

F894-0010 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F894-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F894-0010?
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What is the minimum amount of F894-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F894-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F894-0010
  • 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 F894-0010 available by request