G682-0016 Screening compound: 2-[1,1-dioxo-4-phenyl-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

G682-0016 Screening compound: 2-[1,1-dioxo-4-phenyl-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide
G682-0016 Screening compound: 2-[1,1-dioxo-4-phenyl-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G682-0016
2-[1,1-dioxo-4-phenyl-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

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

G682-0016

Molecular Formula

C22H16F3N3O3S (C22 H16 F3 N3 O3 S)

Compound Name

2-[1,1-dioxo-4-phenyl-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(11-dioxo-4-phenyl-2H-1lambda623-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN(N=C(c1ccccc1)c1c2cccc1)S2(=O)=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C22H16F3N3O3S/c23-22(24,25)16-9-6-10-17(13-16)26-20(29)14-28-27-21(15-7-2-1-3-8-15)18-11-4-5-12-19(18)32(28,30)31/h1-13H,14H2,(H,26,29)

InChI Key

NYVGPJDXDJFQGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15029014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.887

Distribution Coefficient, logD

4.887

Water Solubility, LogSw

-4.80

Polar Surface Area

63.853

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with G682-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G682-0016?
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What is the minimum amount of G682-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G682-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G682-0016
  • 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 G682-0016 available by request