F821-0061 Screening compound: 6-{[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

F821-0061 Screening compound: 6-{[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
F821-0061 Screening compound: 6-{[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F821-0061
6-{[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-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

F821-0061

Molecular Formula

C20H27N3O5S (C20 H27 N3 O5 S)

Compound Name

6-{[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-{[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(C(CCC1)CN1S(c(cc1)cc(N2)c1OCC2=O)(=O)=O)N1CCCCCC1

InChI

InChI=1S/C20H27N3O5S/c24-19-14-28-18-8-7-16(12-17(18)21-19)29(26,27)23-11-5-6-15(13-23)20(25)22-9-3-1-2-4-10-22/h7-8,12,15H,1-6,9-11,13-14H2,(H,21,24)/t15-/m0/s1

InChI Key

CFLXGGOLQBJUDB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14967251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.549

Distribution Coefficient, logD

1.549

Water Solubility, LogSw

-2.63

Polar Surface Area

82.132

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

F821-0061 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F821-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F821-0061?
Check Price and Availability of F821-0061, 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 F821-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F821-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F821-0061
  • 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 F821-0061 available by request