G682-0125 Screening compound: 2-[6-chloro-1,1-dioxo-4-phenyl-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]-N~1~-(3-fluoro-4-methylphenyl)acetamide

G682-0125 Screening compound: 2-[6-chloro-1,1-dioxo-4-phenyl-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]-N~1~-(3-fluoro-4-methylphenyl)acetamide
G682-0125 Screening compound: 2-[6-chloro-1,1-dioxo-4-phenyl-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]-N~1~-(3-fluoro-4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G682-0125
2-[6-chloro-1,1-dioxo-4-phenyl-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]-N~1~-(3-fluoro-4-methylphenyl)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

G682-0125

Molecular Formula

C22H17ClFN3O3S (C22 H17 ClFN3 O3 S)

Compound Name

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

IUPAC name

2-(6-chloro-11-dioxo-4-phenyl-2H-1lambda623-benzothiadiazin-2-yl)-N-(3-fluoro-4-methylphenyl)acetamide

SMILES

Cc(ccc(NC(CN(N=C(c1ccccc1)c1c2ccc(Cl)c1)S2(=O)=O)=O)c1)c1F

InChI

InChI=1S/C22H17ClFN3O3S/c1-14-7-9-17(12-19(14)24)25-21(28)13-27-26-22(15-5-3-2-4-6-15)18-11-16(23)8-10-20(18)31(27,29)30/h2-12H,13H2,1H3,(H,25,28)

InChI Key

YVPHLQVEFWIDOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15029050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.360

Distribution Coefficient, logD

5.360

Water Solubility, LogSw

-5.83

Polar Surface Area

63.853

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with G682-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G682-0125?
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What is the minimum amount of G682-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G682-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G682-0125
  • 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 G682-0125 available by request