G347-0714 Screening compound: 4-methoxy-3-{[5-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]methyl}benzaldehyde

G347-0714 Screening compound: 4-methoxy-3-{[5-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]methyl}benzaldehyde
G347-0714 Screening compound: 4-methoxy-3-{[5-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]methyl}benzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound G347-0714
4-methoxy-3-{[5-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,5-thiadiazolan-2-yl]methyl}benzaldehyde

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

G347-0714

Molecular Formula

C19H22N2O4S (C19 H22 N2 O4 S)

Compound Name

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

IUPAC name

4-methoxy-3-({5-[(2-methylphenyl)methyl]-11-dioxo-1lambda625-thiadiazolidin-2-yl}methyl)benzaldehyde

SMILES

Cc1c(CN(CCN2Cc(cc(C=O)cc3)c3OC)S2(=O)=O)cccc1

InChI

InChI=1S/C19H22N2O4S/c1-15-5-3-4-6-17(15)12-20-9-10-21(26(20,23)24)13-18-11-16(14-22)7-8-19(18)25-2/h3-8,11,14H,9-10,12-13H2,1-2H3

InChI Key

QXQRHDSLOUSKJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14999820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

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

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.05

Polar Surface Area

58.534

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G347-0714 in Drug Discovery

Included in Screening Libraries

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 G347-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G347-0714?
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What is the minimum amount of G347-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G347-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G347-0714
  • 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 G347-0714 available by request