F061-1845 Screening compound: N-(3-cyanophenyl)-1-({3-methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide

F061-1845 Screening compound: N-(3-cyanophenyl)-1-({3-methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide
F061-1845 Screening compound: N-(3-cyanophenyl)-1-({3-methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F061-1845
N-(3-cyanophenyl)-1-({3-methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-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

F061-1845

Molecular Formula

C28H30N4O4S (C28 H30 N4 O4 S)

Compound Name

N-(3-cyanophenyl)-1-({3-methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide

IUPAC name

N-(3-cyanophenyl)-1-({3-methyl-5-[(1E)-2-(246-trimethylphenyl)ethenyl]-12-oxazol-4-yl}sulfonyl)piperidine-3-carboxamide

SMILES

Cc1noc(/C=C/c2c(C)cc(C)cc2C)c1S(N(CCC1)CC1C(Nc1cc(C#N)ccc1)=O)(=O)=O

InChI

InChI=1S/C28H30N4O4S/c1-18-13-19(2)25(20(3)14-18)10-11-26-27(21(4)31-36-26)37(34,35)32-12-6-8-23(17-32)28(33)30-24-9-5-7-22(15-24)16-29/h5,7,9-11,13-15,23H,6,8,12,17H2,1-4H3,(H,30,33)/t23-/m0/s1

InChI Key

IHZHSXUUSNIALJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14938784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.64

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

4.564

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.31

Polar Surface Area

93.546

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

F061-1845 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 F061-1845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F061-1845?
Check Price and Availability of F061-1845, 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 F061-1845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F061-1845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F061-1845
  • 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 F061-1845 available by request