F061-1918 Screening compound: 4-[1-({3-methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

F061-1918 Screening compound: 4-[1-({3-methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one
F061-1918 Screening compound: 4-[1-({3-methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F061-1918
4-[1-({3-methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

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

F061-1918

Molecular Formula

C29H32N4O5S (C29 H32 N4 O5 S)

Compound Name

4-[1-({3-methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

4-[1-({3-methyl-5-[(1E)-2-(246-trimethylphenyl)ethenyl]-12-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-1234-tetrahydroquinoxalin-2-one

SMILES

Cc1noc(/C=C/c2c(C)cc(C)cc2C)c1S(N(CCC1)CC1C(N(C1)c(cccc2)c2NC1=O)=O)(=O)=O

InChI

InChI=1S/C29H32N4O5S/c1-18-14-19(2)23(20(3)15-18)11-12-26-28(21(4)31-38-26)39(36,37)32-13-7-8-22(16-32)29(35)33-17-27(34)30-24-9-5-6-10-25(24)33/h5-6,9-12,14-15,22H,7-8,13,16-17H2,1-4H3,(H,30,34)/t22-/m0/s1

InChI Key

CKBCCZSVZYCPSO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27097790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.66

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

4.005

Distribution Coefficient, logD

4.004

Water Solubility, LogSw

-4.11

Polar Surface Area

93.545

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

F061-1918 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F061-1918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F061-1918?
Check Price and Availability of F061-1918, 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 F061-1918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F061-1918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F061-1918
  • 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 F061-1918 available by request