G550-0578 Screening compound: 1,1-dioxo-N~3~-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

G550-0578 Screening compound: 1,1-dioxo-N~3~-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide
G550-0578 Screening compound: 1,1-dioxo-N~3~-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G550-0578
1,1-dioxo-N~3~-[4-(trifluoromethoxy)phenyl]-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

G550-0578

Molecular Formula

C16H11F6N3O4S (C16 H11 F6 N3 O4 S)

Compound Name

1,1-dioxo-N~3~-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

IUPAC name

11-dioxo-N-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-34-dihydro-2H-1lambda624-benzothiadiazine-3-carboxamide

SMILES

O=C(C(Nc1c2ccc(C(F)(F)F)c1)NS2(=O)=O)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C16H11F6N3O4S/c17-15(18,19)8-1-6-12-11(7-8)24-13(25-30(12,27)28)14(26)23-9-2-4-10(5-3-9)29-16(20,21)22/h1-7,13,24-25H,(H,23,26)/t13-/m0/s1

InChI Key

CHPUTMSMKCHIPZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27144102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.266

Distribution Coefficient, logD

3.266

Water Solubility, LogSw

-3.77

Polar Surface Area

81.400

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with G550-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G550-0578?
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What is the minimum amount of G550-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G550-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G550-0578
  • 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 G550-0578 available by request