F821-0087 Screening compound: 6-{[3-(1,2,3,4-tetrahydroquinoline-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

F821-0087 Screening compound: 6-{[3-(1,2,3,4-tetrahydroquinoline-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
F821-0087 Screening compound: 6-{[3-(1,2,3,4-tetrahydroquinoline-1-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F821-0087
6-{[3-(1,2,3,4-tetrahydroquinoline-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

F821-0087

Molecular Formula

C23H25N3O5S (C23 H25 N3 O5 S)

Compound Name

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

IUPAC name

6-{[3-(1234-tetrahydroquinoline-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)N(CCC1)c2c1cccc2

InChI

InChI=1S/C23H25N3O5S/c27-22-15-31-21-10-9-18(13-19(21)24-22)32(29,30)25-11-3-7-17(14-25)23(28)26-12-4-6-16-5-1-2-8-20(16)26/h1-2,5,8-10,13,17H,3-4,6-7,11-12,14-15H2,(H,24,27)/t17-/m0/s1

InChI Key

PEGOHQSUWUKNTB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14967262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.53

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

2.206

Distribution Coefficient, logD

2.206

Water Solubility, LogSw

-2.92

Polar Surface Area

80.466

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

F821-0087 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 F821-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F821-0087?
Check Price and Availability of F821-0087, 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 F821-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F821-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F821-0087
  • 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 F821-0087 available by request