G428-0515 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]propanamide

G428-0515 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]propanamide
G428-0515 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G428-0515
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl)sulfonyl]propanamide

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

G428-0515

Molecular Formula

C18H17N3O7S2 (C18 H17 N3 O7 S2)

Compound Name

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

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[(11-dioxo-4H-1lambda624-benzothiadiazin-7-yl)sulfonyl]propanamide

SMILES

CC(C(Nc(cc1)cc2c1OCCO2)=O)S(c(cc1)cc2c1NC=NS2(=O)=O)(=O)=O

InChI

InChI=1S/C18H17N3O7S2/c1-11(18(22)21-12-2-5-15-16(8-12)28-7-6-27-15)29(23,24)13-3-4-14-17(9-13)30(25,26)20-10-19-14/h2-5,8-11H,6-7H2,1H3,(H,19,20)(H,21,22)/t11-/m0/s1

InChI Key

PEWASBVWJZUIEG-NSHDSACASA-N

MDL Number (MFCD)

MFCD09980742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.561

Distribution Coefficient, logD

0.527

Water Solubility, LogSw

-2.49

Polar Surface Area

122.010

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

G428-0515 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G428-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G428-0515?
Check Price and Availability of G428-0515, 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 G428-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G428-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G428-0515
  • 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 G428-0515 available by request