F821-0458 Screening compound: N-[(4-methoxyphenyl)methyl]-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-carboxamide

F821-0458 Screening compound: N-[(4-methoxyphenyl)methyl]-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-carboxamide
F821-0458 Screening compound: N-[(4-methoxyphenyl)methyl]-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F821-0458
N-[(4-methoxyphenyl)methyl]-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-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

F821-0458

Molecular Formula

C23H27N3O6S (C23 H27 N3 O6 S)

Compound Name

N-[(4-methoxyphenyl)methyl]-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-carboxamide

IUPAC name

N-[(4-methoxyphenyl)methyl]-1-[(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)sulfonyl]piperidine-3-carboxamide

SMILES

CC1Oc(ccc(S(N(CCC2)CC2C(NCc(cc2)ccc2OC)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C23H27N3O6S/c1-15-22(27)25-20-12-19(9-10-21(20)32-15)33(29,30)26-11-3-4-17(14-26)23(28)24-13-16-5-7-18(31-2)8-6-16/h5-10,12,15,17H,3-4,11,13-14H2,1-2H3,(H,24,28)(H,25,27)

InChI Key

CEOTWYQHGKWBJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14967336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.737

Distribution Coefficient, logD

1.736

Water Solubility, LogSw

-2.60

Polar Surface Area

96.448

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

F821-0458 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 F821-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F821-0458?
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What is the minimum amount of F821-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F821-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F821-0458
  • 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 F821-0458 available by request