F821-0344 Screening compound: 1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}piperidine-3-carboxamide

F821-0344 Screening compound: 1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}piperidine-3-carboxamide
F821-0344 Screening compound: 1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F821-0344
1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}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

F821-0344

Molecular Formula

C24H29N3O6S (C24 H29 N3 O6 S)

Compound Name

1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}piperidine-3-carboxamide

IUPAC name

1-[(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)sulfonyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}piperidine-3-carboxamide

SMILES

CC(C)Oc1ccc(CNC(C(CCC2)CN2S(c(cc2)cc(N3)c2OCC3=O)(=O)=O)=O)cc1

InChI

InChI=1S/C24H29N3O6S/c1-16(2)33-19-7-5-17(6-8-19)13-25-24(29)18-4-3-11-27(14-18)34(30,31)20-9-10-22-21(12-20)26-23(28)15-32-22/h5-10,12,16,18H,3-4,11,13-15H2,1-2H3,(H,25,29)(H,26,28)/t18-/m0/s1

InChI Key

FJJNXQBLEPQQDO-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14967322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.861

Distribution Coefficient, logD

1.861

Water Solubility, LogSw

-2.73

Polar Surface Area

96.369

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

F821-0344 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 F821-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F821-0344?
Check Price and Availability of F821-0344, 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 F821-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F821-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F821-0344
  • 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 F821-0344 available by request