G550-0628 Screening compound: 3-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-6-(trifluoromethyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

G550-0628 Screening compound: 3-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-6-(trifluoromethyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
G550-0628 Screening compound: 3-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-6-(trifluoromethyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G550-0628
3-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-6-(trifluoromethyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

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

G550-0628

Molecular Formula

C21H23F3N4O3S (C21 H23 F3 N4 O3 S)

Compound Name

3-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-6-(trifluoromethyl)-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

IUPAC name

3-[4-(25-dimethylphenyl)piperazine-1-carbonyl]-6-(trifluoromethyl)-34-dihydro-2H-1lambda624-benzothiadiazine-11-dione

SMILES

Cc1cc(N(CC2)CCN2C(C(Nc2c3ccc(C(F)(F)F)c2)NS3(=O)=O)=O)c(C)cc1

InChI

InChI=1S/C21H23F3N4O3S/c1-13-3-4-14(2)17(11-13)27-7-9-28(10-8-27)20(29)19-25-16-12-15(21(22,23)24)5-6-18(16)32(30,31)26-19/h3-6,11-12,19,25-26H,7-10H2,1-2H3/t19-/m0/s1

InChI Key

OMOCVWBVLIDMFN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27144113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.215

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.51

Polar Surface Area

71.980

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

G550-0628 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G550-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G550-0628?
Check Price and Availability of G550-0628, 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 G550-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G550-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G550-0628
  • 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 G550-0628 available by request