G428-0495 Screening compound: 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]-N~1~-(3,4,5-trimethoxyphenyl)acetamide

G428-0495 Screening compound: 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]-N~1~-(3,4,5-trimethoxyphenyl)acetamide
G428-0495 Screening compound: 2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]-N~1~-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G428-0495
2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]-N~1~-(3,4,5-trimethoxyphenyl)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

G428-0495

Molecular Formula

C18H19N3O8S2 (C18 H19 N3 O8 S2)

Compound Name

2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]-N~1~-(3,4,5-trimethoxyphenyl)acetamide

IUPAC name

2-[(11-dioxo-4H-1lambda624-benzothiadiazin-7-yl)sulfonyl]-N-(345-trimethoxyphenyl)acetamide

SMILES

COc1cc(NC(CS(c(cc2)cc3c2NC=NS3(=O)=O)(=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C18H19N3O8S2/c1-27-14-6-11(7-15(28-2)18(14)29-3)21-17(22)9-30(23,24)12-4-5-13-16(8-12)31(25,26)20-10-19-13/h4-8,10H,9H2,1-3H3,(H,19,20)(H,21,22)

InChI Key

DMXWNGGJLDULCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15013561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.605

Distribution Coefficient, logD

0.571

Water Solubility, LogSw

-2.47

Polar Surface Area

128.215

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G428-0495 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G428-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G428-0495?
Check Price and Availability of G428-0495, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G428-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G428-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G428-0495
  • 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 G428-0495 available by request