G550-0822 Screening compound: 6-fluoro-N~3~-(4-methoxybenzyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

G550-0822 Screening compound: 6-fluoro-N~3~-(4-methoxybenzyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide
G550-0822 Screening compound: 6-fluoro-N~3~-(4-methoxybenzyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G550-0822
6-fluoro-N~3~-(4-methoxybenzyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

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

G550-0822

Molecular Formula

C16H16FN3O4S (C16 H16 FN3 O4 S)

Compound Name

6-fluoro-N~3~-(4-methoxybenzyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

IUPAC name

6-fluoro-N-[(4-methoxyphenyl)methyl]-11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazine-3-carboxamide

SMILES

COc1ccc(CNC(C(Nc2c3ccc(F)c2)NS3(=O)=O)=O)cc1

InChI

InChI=1S/C16H16FN3O4S/c1-24-12-5-2-10(3-6-12)9-18-16(21)15-19-13-8-11(17)4-7-14(13)25(22,23)20-15/h2-8,15,19-20H,9H2,1H3,(H,18,21)/t15-/m0/s1

InChI Key

BTUWTMKWHXWNIO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27144137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.672

Distribution Coefficient, logD

0.672

Water Solubility, LogSw

-2.32

Polar Surface Area

84.329

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

G550-0822 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G550-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G550-0822?
Check Price and Availability of G550-0822, 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 G550-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G550-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G550-0822
  • 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 G550-0822 available by request