F061-1914 Screening compound: 2-methyl-4-[1-({3-methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-3,4-dihydro-2H-1,4-benzoxazine

F061-1914 Screening compound: 2-methyl-4-[1-({3-methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-3,4-dihydro-2H-1,4-benzoxazine
F061-1914 Screening compound: 2-methyl-4-[1-({3-methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-3,4-dihydro-2H-1,4-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F061-1914
2-methyl-4-[1-({3-methyl-5-[(1E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-3,4-dihydro-2H-1,4-benzoxazine

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

F061-1914

Molecular Formula

C30H35N3O5S (C30 H35 N3 O5 S)

Compound Name

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

IUPAC name

2-methyl-4-[1-({3-methyl-5-[(1E)-2-(246-trimethylphenyl)ethenyl]-12-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-34-dihydro-2H-14-benzoxazine

SMILES

CC(C1)Oc(cccc2)c2N1C(C(CCC1)CN1S(c1c(/C=C/c2c(C)cc(C)cc2C)onc1C)(=O)=O)=O

InChI

InChI=1S/C30H35N3O5S/c1-19-15-20(2)25(21(3)16-19)12-13-28-29(23(5)31-38-28)39(35,36)32-14-8-9-24(18-32)30(34)33-17-22(4)37-27-11-7-6-10-26(27)33/h6-7,10-13,15-16,22,24H,8-9,14,17-18H2,1-5H3

InChI Key

CWIZKMATNKXVHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.094

Distribution Coefficient, logD

5.094

Water Solubility, LogSw

-4.83

Polar Surface Area

75.760

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

F061-1914 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 F061-1914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F061-1914?
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What is the minimum amount of F061-1914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F061-1914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F061-1914
  • 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 F061-1914 available by request