0831-0512 Screening compound: 4-(diethylsulfamoyl)-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide

0831-0512 Screening compound: 4-(diethylsulfamoyl)-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide
0831-0512 Screening compound: 4-(diethylsulfamoyl)-N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0512
4-(diethylsulfamoyl)-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

0831-0512

Molecular Formula

C21H25N5O5S3 (C21 H25 N5 O5 S3)

Compound Name

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

IUPAC name

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

SMILES

CCc1nnc(NS(c(cc2)ccc2NC(c(cc2)ccc2S(N(CC)CC)(=O)=O)=O)(=O)=O)s1

InChI

InChI=1S/C21H25N5O5S3/c1-4-19-23-24-21(32-19)25-33(28,29)17-13-9-16(10-14-17)22-20(27)15-7-11-18(12-8-15)34(30,31)26(5-2)6-3/h7-14H,4-6H2,1-3H3,(H,22,27)(H,24,25)

InChI Key

VTWROZIAUPVUKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00987154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.66

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.040

Distribution Coefficient, logD

0.854

Water Solubility, LogSw

-3.58

Polar Surface Area

119.116

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

0831-0512 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

PI3K-Targeted Library (17255 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0831-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0512?
Check Price and Availability of 0831-0512, 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 0831-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0512
  • 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 0831-0512 available by request