G364-0069 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide

G364-0069 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide
G364-0069 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G364-0069
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methylbenzyl)-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

G364-0069

Molecular Formula

C21H25N3O5S (C21 H25 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN(CCCN2CC(Nc(cc3)cc4c3OCCO4)=O)S2(=O)=O)cccc1

InChI

InChI=1S/C21H25N3O5S/c1-16-5-2-3-6-17(16)14-23-9-4-10-24(30(23,26)27)15-21(25)22-18-7-8-19-20(13-18)29-12-11-28-19/h2-3,5-8,13H,4,9-12,14-15H2,1H3,(H,22,25)

InChI Key

FHKKQJRPTJTGAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15003465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.162

Distribution Coefficient, logD

2.162

Water Solubility, LogSw

-2.81

Polar Surface Area

75.351

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G364-0069 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)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 G364-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G364-0069?
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What is the minimum amount of G364-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G364-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G364-0069
  • 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 G364-0069 available by request