G197-0067 Screening compound: N~3~-(3-methoxybenzyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide

G197-0067 Screening compound: N~3~-(3-methoxybenzyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide
G197-0067 Screening compound: N~3~-(3-methoxybenzyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G197-0067
N~3~-(3-methoxybenzyl)-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

G197-0067

Molecular Formula

C16H15N3O4S (C16 H15 N3 O4 S)

Compound Name

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

IUPAC name

N-[(3-methoxyphenyl)methyl]-11-dioxo-2H-1lambda624-benzothiadiazine-3-carboxamide

SMILES

COc1cccc(CNC(C(N2)=Nc(cccc3)c3S2(=O)=O)=O)c1

InChI

InChI=1S/C16H15N3O4S/c1-23-12-6-4-5-11(9-12)10-17-16(20)15-18-13-7-2-3-8-14(13)24(21,22)19-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19)

InChI Key

FNZAPWRCIHRSBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.856

Distribution Coefficient, logD

-4.826

Water Solubility, LogSw

-2.39

Polar Surface Area

82.844

Acid Dissociation Constant (pKa)

4.12

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G197-0067 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G197-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G197-0067?
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What is the minimum amount of G197-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G197-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G197-0067
  • 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 G197-0067 available by request