G197-0014 Screening compound: N~3~-(4-chlorophenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

G197-0014 Screening compound: N~3~-(4-chlorophenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide
G197-0014 Screening compound: N~3~-(4-chlorophenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G197-0014
N~3~-(4-chlorophenyl)-1,1-dioxo-1,2-dihydro-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

G197-0014

Molecular Formula

C14H10ClN3O3S (C14 H10 ClN3 O3 S)

Compound Name

N~3~-(4-chlorophenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

IUPAC name

N-(4-chlorophenyl)-11-dioxo-2H-1lambda624-benzothiadiazine-3-carboxamide

SMILES

O=C(C(N1)=Nc(cccc2)c2S1(=O)=O)Nc(cc1)ccc1Cl

InChI

InChI=1S/C14H10ClN3O3S/c15-9-5-7-10(8-6-9)16-14(19)13-17-11-3-1-2-4-12(11)22(20,21)18-13/h1-8H,(H,16,19)(H,17,18)

InChI Key

KINKRCRGVPBYRD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.680

Distribution Coefficient, logD

-2.856

Water Solubility, LogSw

-2.71

Polar Surface Area

73.978

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

G197-0014 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G197-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G197-0014?
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What is the minimum amount of G197-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G197-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G197-0014
  • 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 G197-0014 available by request