F821-0213 Screening compound: 6-{[3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

F821-0213 Screening compound: 6-{[3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
F821-0213 Screening compound: 6-{[3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F821-0213
6-{[3-(morpholine-4-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

F821-0213

Molecular Formula

C18H23N3O6S (C18 H23 N3 O6 S)

Compound Name

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

IUPAC name

6-{[3-(morpholine-4-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)N1CCOCC1

InChI

InChI=1S/C18H23N3O6S/c22-17-12-27-16-4-3-14(10-15(16)19-17)28(24,25)21-5-1-2-13(11-21)18(23)20-6-8-26-9-7-20/h3-4,10,13H,1-2,5-9,11-12H2,(H,19,22)/t13-/m0/s1

InChI Key

WUHAJANEQLRFDU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14967309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.105

Distribution Coefficient, logD

-0.105

Water Solubility, LogSw

-2.40

Polar Surface Area

89.710

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

F821-0213 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F821-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F821-0213?
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What is the minimum amount of F821-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F821-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F821-0213
  • 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 F821-0213 available by request