G805-0846 Screening compound: 6-chloro-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

G805-0846 Screening compound: 6-chloro-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
G805-0846 Screening compound: 6-chloro-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-0846
6-chloro-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}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

G805-0846

Molecular Formula

C21H23ClFN3O4S (C21 H23 ClFN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(COc1c2)Nc1cc(Cl)c2S(NCC1CCN(Cc(cccc2)c2F)CC1)(=O)=O

InChI

InChI=1S/C21H23ClFN3O4S/c22-16-9-18-19(30-13-21(27)25-18)10-20(16)31(28,29)24-11-14-5-7-26(8-6-14)12-15-3-1-2-4-17(15)23/h1-4,9-10,14,24H,5-8,11-13H2,(H,25,27)

InChI Key

NRUFZFBBYZYDDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.95

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

3.237

Distribution Coefficient, logD

1.864

Water Solubility, LogSw

-3.50

Polar Surface Area

78.999

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G805-0846 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with G805-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-0846?
Check Price and Availability of G805-0846, 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 G805-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-0846
  • 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 G805-0846 available by request