G197-0084 Screening compound: N~3~-(1,3-benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

G197-0084 Screening compound: N~3~-(1,3-benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide
G197-0084 Screening compound: N~3~-(1,3-benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G197-0084
N~3~-(1,3-benzodioxol-5-ylmethyl)-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

G197-0084

Molecular Formula

C16H13N3O5S (C16 H13 N3 O5 S)

Compound Name

N~3~-(1,3-benzodioxol-5-ylmethyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

IUPAC name

n/a

SMILES

O=C(C(N1)=Nc(cccc2)c2S1(=O)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C16H13N3O5S/c20-16(17-8-10-5-6-12-13(7-10)24-9-23-12)15-18-11-3-1-2-4-14(11)25(21,22)19-15/h1-7H,8-9H2,(H,17,20)(H,18,19)

InChI Key

KUBNSBNGJYPOFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.672

Distribution Coefficient, logD

-5.011

Water Solubility, LogSw

-2.45

Polar Surface Area

92.415

Acid Dissociation Constant (pKa)

4.12

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G197-0084 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G197-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G197-0084?
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What is the minimum amount of G197-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G197-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G197-0084
  • 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 G197-0084 available by request