F061-0943 Screening compound: N-(3-chloro-4-methylphenyl)-1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide

F061-0943 Screening compound: N-(3-chloro-4-methylphenyl)-1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide
F061-0943 Screening compound: N-(3-chloro-4-methylphenyl)-1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F061-0943
N-(3-chloro-4-methylphenyl)-1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-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

F061-0943

Molecular Formula

C25H25ClFN3O4S (C25 H25 ClFN3 O4 S)

Compound Name

N-(3-chloro-4-methylphenyl)-1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide

IUPAC name

N-(3-chloro-4-methylphenyl)-1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-12-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide

SMILES

Cc1noc(/C=C/c(cccc2)c2F)c1S(N(CCC1)CC1C(Nc1cc(Cl)c(C)cc1)=O)(=O)=O

InChI

InChI=1S/C25H25ClFN3O4S/c1-16-9-11-20(14-21(16)26)28-25(31)19-7-5-13-30(15-19)35(32,33)24-17(2)29-34-23(24)12-10-18-6-3-4-8-22(18)27/h3-4,6,8-12,14,19H,5,7,13,15H2,1-2H3,(H,28,31)/t19-/m0/s1

InChI Key

IENZKHPBRUMZSP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27097670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.910

Distribution Coefficient, logD

4.906

Water Solubility, LogSw

-4.96

Polar Surface Area

76.490

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

F061-0943 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • 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 F061-0943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F061-0943?
Check Price and Availability of F061-0943, 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 F061-0943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F061-0943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F061-0943
  • 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 F061-0943 available by request