E157-6918 Screening compound: N-{5-[(3,5-dimethylphenyl)(ethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide

E157-6918 Screening compound: N-{5-[(3,5-dimethylphenyl)(ethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide
E157-6918 Screening compound: N-{5-[(3,5-dimethylphenyl)(ethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-6918
N-{5-[(3,5-dimethylphenyl)(ethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide

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

E157-6918

Molecular Formula

C19H26N4O3S2 (C19 H26 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(c1cc(C)cc(C)c1)S(c1nnc(NC(C2CCCCC2)=O)s1)(=O)=O

InChI

InChI=1S/C19H26N4O3S2/c1-4-23(16-11-13(2)10-14(3)12-16)28(25,26)19-22-21-18(27-19)20-17(24)15-8-6-5-7-9-15/h10-12,15H,4-9H2,1-3H3,(H,20,21,24)

InChI Key

BHZHQZFIYDPWFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.862

Distribution Coefficient, logD

4.244

Water Solubility, LogSw

-4.53

Polar Surface Area

78.392

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

-6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

E157-6918 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E157-6918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-6918?
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What is the minimum amount of E157-6918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-6918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-6918
  • 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 E157-6918 available by request