G805-0559 Screening compound: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

G805-0559 Screening compound: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
G805-0559 Screening compound: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-0559
N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

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

G805-0559

Molecular Formula

C22H26FN3O4S (C22 H26 FN3 O4 S)

Compound Name

N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

IUPAC name

N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-6-methyl-3-oxo-34-dihydro-2H-14-benzoxazine-7-sulfonamide

SMILES

Cc(cc(c(OC1)c2)NC1=O)c2S(NCC1CCN(Cc(cccc2)c2F)CC1)(=O)=O

InChI

InChI=1S/C22H26FN3O4S/c1-15-10-19-20(30-14-22(27)25-19)11-21(15)31(28,29)24-12-16-6-8-26(9-7-16)13-17-4-2-3-5-18(17)23/h2-5,10-11,16,24H,6-9,12-14H2,1H3,(H,25,27)

InChI Key

WFBSJNGITYABCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15037949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.977

Distribution Coefficient, logD

1.605

Water Solubility, LogSw

-3.33

Polar Surface Area

78.999

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

G805-0559 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G805-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-0559?
Check Price and Availability of G805-0559, 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 G805-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-0559
  • 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 G805-0559 available by request