G550-0066 Screening compound: N~3~-(4-methoxybenzyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

G550-0066 Screening compound: N~3~-(4-methoxybenzyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide
G550-0066 Screening compound: 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 G550-0066
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

G550-0066

Molecular Formula

C16H17N3O4S (C16 H17 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CNC(C(Nc2c3cccc2)NS3(=O)=O)=O)cc1

InChI

InChI=1S/C16H17N3O4S/c1-23-12-8-6-11(7-9-12)10-17-16(20)15-18-13-4-2-3-5-14(13)24(21,22)19-15/h2-9,15,18-19H,10H2,1H3,(H,17,20)/t15-/m0/s1

InChI Key

XOJJJNSRHKAPOM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15019154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.39

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

0.544

Distribution Coefficient, logD

0.543

Water Solubility, LogSw

-2.12

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

G550-0066 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G550-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G550-0066?
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What is the minimum amount of G550-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G550-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G550-0066
  • 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 G550-0066 available by request