F894-0008 Screening compound: N-(4-methyl-1,3-thiazol-2-yl)-1-{[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl}piperidine-3-carboxamide

F894-0008 Screening compound: N-(4-methyl-1,3-thiazol-2-yl)-1-{[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl}piperidine-3-carboxamide
F894-0008 Screening compound: N-(4-methyl-1,3-thiazol-2-yl)-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 F894-0008
N-(4-methyl-1,3-thiazol-2-yl)-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

F894-0008

Molecular Formula

C18H21N5O4S3 (C18 H21 N5 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

Cc1csc(NC(C(CCC2)CN2S(c2c(C)sc(-c3noc(C)n3)c2)(=O)=O)=O)n1

InChI

InChI=1S/C18H21N5O4S3/c1-10-9-28-18(19-10)21-17(24)13-5-4-6-23(8-13)30(25,26)15-7-14(29-11(15)2)16-20-12(3)27-22-16/h7,9,13H,4-6,8H2,1-3H3,(H,19,21,24)/t13-/m0/s1

InChI Key

TWGQEQIQEUFTPT-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27202425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-3.15

Polar Surface Area

96.750

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

F894-0008 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)

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
Targets:
  • Others

References: we are preparing a list of scientific research reports with F894-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F894-0008?
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What is the minimum amount of F894-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F894-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F894-0008
  • 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 F894-0008 available by request