G550-0551 Screening compound: N~3~-(3,4-dimethoxyphenyl)-1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

G550-0551 Screening compound: N~3~-(3,4-dimethoxyphenyl)-1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide
G550-0551 Screening compound: N~3~-(3,4-dimethoxyphenyl)-1,1-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G550-0551
N~3~-(3,4-dimethoxyphenyl)-1,1-dioxo-6-(trifluoromethyl)-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

G550-0551

Molecular Formula

C17H16F3N3O5S (C17 H16 F3 N3 O5 S)

Compound Name

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

IUPAC name

N-(34-dimethoxyphenyl)-11-dioxo-6-(trifluoromethyl)-34-dihydro-2H-1lambda624-benzothiadiazine-3-carboxamide

SMILES

COc(ccc(NC(C(Nc1c2ccc(C(F)(F)F)c1)NS2(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C17H16F3N3O5S/c1-27-12-5-4-10(8-13(12)28-2)21-16(24)15-22-11-7-9(17(18,19)20)3-6-14(11)29(25,26)23-15/h3-8,15,22-23H,1-2H3,(H,21,24)/t15-/m0/s1

InChI Key

CZMBQHRBUDQOSW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27144095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.610

Distribution Coefficient, logD

1.609

Water Solubility, LogSw

-2.43

Polar Surface Area

90.724

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

G550-0551 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 G550-0551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G550-0551?
Check Price and Availability of G550-0551, 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 G550-0551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G550-0551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G550-0551
  • 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 G550-0551 available by request