G682-0214 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[6-chloro-4-(2-fluorophenyl)-1,1-dioxo-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]acetamide

G682-0214 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[6-chloro-4-(2-fluorophenyl)-1,1-dioxo-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]acetamide
G682-0214 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[6-chloro-4-(2-fluorophenyl)-1,1-dioxo-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G682-0214
N~1~-(1,3-benzodioxol-5-yl)-2-[6-chloro-4-(2-fluorophenyl)-1,1-dioxo-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]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

G682-0214

Molecular Formula

C22H15ClFN3O5S (C22 H15 ClFN3 O5 S)

Compound Name

N~1~-(1,3-benzodioxol-5-yl)-2-[6-chloro-4-(2-fluorophenyl)-1,1-dioxo-1lambda~6~,2,3-benzothiadiazin-2(1H)-yl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[6-chloro-4-(2-fluorophenyl)-11-dioxo-2H-1lambda623-benzothiadiazin-2-yl]acetamide

SMILES

O=C(CN(N=C(c(cccc1)c1F)c1c2ccc(Cl)c1)S2(=O)=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H15ClFN3O5S/c23-13-5-8-20-16(9-13)22(15-3-1-2-4-17(15)24)26-27(33(20,29)30)11-21(28)25-14-6-7-18-19(10-14)32-12-31-18/h1-10H,11-12H2,(H,25,28)

InChI Key

ONCSALZLJITBKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15029107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.677

Distribution Coefficient, logD

4.677

Water Solubility, LogSw

-4.95

Polar Surface Area

80.968

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with G682-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G682-0214?
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What is the minimum amount of G682-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G682-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G682-0214
  • 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 G682-0214 available by request