4358-5699 Screening compound: 3,4,5-triethoxy-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide

4358-5699 Screening compound: 3,4,5-triethoxy-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
4358-5699 Screening compound: 3,4,5-triethoxy-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-5699
3,4,5-triethoxy-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide

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

4358-5699

Molecular Formula

C23H28N4O6S2 (C23 H28 N4 O6 S2)

Compound Name

3,4,5-triethoxy-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide

IUPAC name

345-triethoxy-N-{4-[(5-ethyl-134-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide

SMILES

CCc1nnc(NS(c(cc2)ccc2NC(c(cc2OCC)cc(OCC)c2OCC)=O)(=O)=O)s1

InChI

InChI=1S/C23H28N4O6S2/c1-5-20-25-26-23(34-20)27-35(29,30)17-11-9-16(10-12-17)24-22(28)15-13-18(31-6-2)21(33-8-4)19(14-15)32-7-3/h9-14H,5-8H2,1-4H3,(H,24,28)(H,26,27)

InChI Key

MDMLECLHHUKNNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02370198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

1.670

Water Solubility, LogSw

-4.00

Polar Surface Area

109.737

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

4358-5699 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4358-5699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-5699?
Check Price and Availability of 4358-5699, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4358-5699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-5699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-5699
  • 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 4358-5699 available by request