E157-6912 Screening compound: N-{5-[(3,5-dimethylphenyl)(ethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}pentanamide

E157-6912 Screening compound: N-{5-[(3,5-dimethylphenyl)(ethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}pentanamide
E157-6912 Screening compound: N-{5-[(3,5-dimethylphenyl)(ethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-6912
N-{5-[(3,5-dimethylphenyl)(ethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}pentanamide

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

E157-6912

Molecular Formula

C17H24N4O3S2 (C17 H24 N4 O3 S2)

Compound Name

N-{5-[(3,5-dimethylphenyl)(ethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}pentanamide

IUPAC name

N-{5-[(35-dimethylphenyl)(ethyl)sulfamoyl]-134-thiadiazol-2-yl}pentanamide

SMILES

CCCCC(Nc(s1)nnc1S(N(CC)c1cc(C)cc(C)c1)(=O)=O)=O

InChI

InChI=1S/C17H24N4O3S2/c1-5-7-8-15(22)18-16-19-20-17(25-16)26(23,24)21(6-2)14-10-12(3)9-13(4)11-14/h9-11H,5-8H2,1-4H3,(H,18,19,22)

InChI Key

WLASKLYQDYODSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.269

Distribution Coefficient, logD

3.942

Water Solubility, LogSw

-4.10

Polar Surface Area

78.258

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

-6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

E157-6912 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

References: we are preparing a list of scientific research reports with E157-6912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-6912?
Check Price and Availability of E157-6912, 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 E157-6912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-6912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-6912
  • 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 E157-6912 available by request