G364-0825 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(4-methoxybenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide

G364-0825 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(4-methoxybenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide
G364-0825 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(4-methoxybenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G364-0825
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(4-methoxybenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]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

G364-0825

Molecular Formula

C21H25N3O6S (C21 H25 N3 O6 S)

Compound Name

N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(4-methoxybenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{6-[(4-methoxyphenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}acetamide

SMILES

COc1ccc(CN(CCCN2CC(Nc(cc3)cc4c3OCCO4)=O)S2(=O)=O)cc1

InChI

InChI=1S/C21H25N3O6S/c1-28-18-6-3-16(4-7-18)14-23-9-2-10-24(31(23,26)27)15-21(25)22-17-5-8-19-20(13-17)30-12-11-29-19/h3-8,13H,2,9-12,14-15H2,1H3,(H,22,25)

InChI Key

NTMDPDVYFPPWLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15003550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.394

Distribution Coefficient, logD

1.394

Water Solubility, LogSw

-2.53

Polar Surface Area

82.895

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G364-0825 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G364-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G364-0825?
Check Price and Availability of G364-0825, 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 G364-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G364-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G364-0825
  • 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 G364-0825 available by request