G348-0522 Screening compound: 3-{[6-(2-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]methyl}-4-methoxybenzaldehyde

G348-0522 Screening compound: 3-{[6-(2-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]methyl}-4-methoxybenzaldehyde
G348-0522 Screening compound: 3-{[6-(2-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]methyl}-4-methoxybenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound G348-0522
3-{[6-(2-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]methyl}-4-methoxybenzaldehyde

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

G348-0522

Molecular Formula

C19H21ClN2O4S (C19 H21 ClN2 O4 S)

Compound Name

3-{[6-(2-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]methyl}-4-methoxybenzaldehyde

IUPAC name

3-({6-[(2-chlorophenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}methyl)-4-methoxybenzaldehyde

SMILES

COc1c(CN(CCCN2Cc(cccc3)c3Cl)S2(=O)=O)cc(C=O)cc1

InChI

InChI=1S/C19H21ClN2O4S/c1-26-19-8-7-15(14-23)11-17(19)13-22-10-4-9-21(27(22,24)25)12-16-5-2-3-6-18(16)20/h2-3,5-8,11,14H,4,9-10,12-13H2,1H3

InChI Key

CJEJQXCIJSKMSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15000039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.031

Distribution Coefficient, logD

3.031

Water Solubility, LogSw

-3.55

Polar Surface Area

58.168

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G348-0522 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G348-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G348-0522?
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What is the minimum amount of G348-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G348-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G348-0522
  • 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 G348-0522 available by request