F061-0132 Screening compound: 1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide

F061-0132 Screening compound: 1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide
F061-0132 Screening compound: 1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F061-0132
1-({3-methyl-5-[(1E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)-N-[3-(methylsulfanyl)phenyl]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

F061-0132

Molecular Formula

C26H29N3O4S2 (C26 H29 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(/C=C/c2ccc(C)cc2)c1S(N(CCC1)CC1C(Nc1cc(SC)ccc1)=O)(=O)=O

InChI

InChI=1S/C26H29N3O4S2/c1-18-9-11-20(12-10-18)13-14-24-25(19(2)28-33-24)35(31,32)29-15-5-6-21(17-29)26(30)27-22-7-4-8-23(16-22)34-3/h4,7-14,16,21H,5-6,15,17H2,1-3H3,(H,27,30)/t21-/m0/s1

InChI Key

GUDAQULXACZARH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14938667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

4.349

Water Solubility, LogSw

-4.26

Polar Surface Area

76.490

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

F061-0132 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F061-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F061-0132?
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What is the minimum amount of F061-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F061-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F061-0132
  • 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 F061-0132 available by request