F821-0051 Screening compound: ethyl 3-{1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-amido}benzoate

F821-0051 Screening compound: ethyl 3-{1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-amido}benzoate
F821-0051 Screening compound: ethyl 3-{1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F821-0051
ethyl 3-{1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-amido}benzoate

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

F821-0051

Molecular Formula

C23H25N3O7S (C23 H25 N3 O7 S)

Compound Name

ethyl 3-{1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-3-amido}benzoate

IUPAC name

ethyl 3-{1-[(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)sulfonyl]piperidine-3-amido}benzoate

SMILES

CCOC(c1cccc(NC(C(CCC2)CN2S(c(cc2)cc(N3)c2OCC3=O)(=O)=O)=O)c1)=O

InChI

InChI=1S/C23H25N3O7S/c1-2-32-23(29)15-5-3-7-17(11-15)24-22(28)16-6-4-10-26(13-16)34(30,31)18-8-9-20-19(12-18)25-21(27)14-33-20/h3,5,7-9,11-12,16H,2,4,6,10,13-14H2,1H3,(H,24,28)(H,25,27)/t16-/m0/s1

InChI Key

RPDUHBSADJFKDI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14967243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.288

Distribution Coefficient, logD

2.287

Water Solubility, LogSw

-2.96

Polar Surface Area

108.998

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

F821-0051 in Drug Discovery

Included in Screening Libraries

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 F821-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F821-0051?
Check Price and Availability of F821-0051, 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 F821-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F821-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F821-0051
  • 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 F821-0051 available by request