3653-0423 Screening compound: N-(4-sulfamoylphenyl)-2-{[3-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide

3653-0423 Screening compound: N-(4-sulfamoylphenyl)-2-{[3-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide
3653-0423 Screening compound: N-(4-sulfamoylphenyl)-2-{[3-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3653-0423
N-(4-sulfamoylphenyl)-2-{[3-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}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

3653-0423

Molecular Formula

C18H18N6O6S5 (C18 H18 N6 O6 S5)

Compound Name

N-(4-sulfamoylphenyl)-2-{[3-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide

IUPAC name

N-(4-sulfamoylphenyl)-2-{[3-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)-124-thiadiazol-5-yl]sulfanyl}acetamide

SMILES

NS(c(cc1)ccc1NC(CSc1nsc(SCC(Nc(cc2)ccc2S(N)(=O)=O)=O)n1)=O)(=O)=O

InChI

InChI=1S/C18H18N6O6S5/c19-34(27,28)13-5-1-11(2-6-13)21-15(25)9-31-17-23-18(33-24-17)32-10-16(26)22-12-3-7-14(8-4-12)35(20,29)30/h1-8H,9-10H2,(H,21,25)(H,22,26)(H2,19,27,28)(H2,20,29,30)

InChI Key

IYGITJWQHYSZEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01799339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.71

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.030

Distribution Coefficient, logD

1.029

Water Solubility, LogSw

-2.12

Polar Surface Area

166.102

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3653-0423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3653-0423?
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What is the minimum amount of 3653-0423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3653-0423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3653-0423
  • 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 3653-0423 available by request