G347-0503 Screening compound: 3-{[5-(2,5-dimethylbenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]methyl}-4-methoxybenzaldehyde

G347-0503 Screening compound: 3-{[5-(2,5-dimethylbenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]methyl}-4-methoxybenzaldehyde
G347-0503 Screening compound: 3-{[5-(2,5-dimethylbenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]methyl}-4-methoxybenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound G347-0503
3-{[5-(2,5-dimethylbenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-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

G347-0503

Molecular Formula

C20H24N2O4S (C20 H24 N2 O4 S)

Compound Name

3-{[5-(2,5-dimethylbenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]methyl}-4-methoxybenzaldehyde

IUPAC name

3-({5-[(25-dimethylphenyl)methyl]-11-dioxo-1lambda625-thiadiazolidin-2-yl}methyl)-4-methoxybenzaldehyde

SMILES

Cc1cc(CN(CCN2Cc(cc(C=O)cc3)c3OC)S2(=O)=O)c(C)cc1

InChI

InChI=1S/C20H24N2O4S/c1-15-4-5-16(2)18(10-15)12-21-8-9-22(27(21,24)25)13-19-11-17(14-23)6-7-20(19)26-3/h4-7,10-11,14H,8-9,12-13H2,1-3H3

InChI Key

UNBBGIYRUQQQIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14999806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

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

3.401

Distribution Coefficient, logD

3.401

Water Solubility, LogSw

-3.39

Polar Surface Area

58.534

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G347-0503 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with G347-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G347-0503?
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What is the minimum amount of G347-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G347-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G347-0503
  • 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 G347-0503 available by request