E157-6614 Screening compound: N-{5-[ethyl(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-methylbenzamide

E157-6614 Screening compound: N-{5-[ethyl(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-methylbenzamide
E157-6614 Screening compound: N-{5-[ethyl(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-6614
N-{5-[ethyl(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-methylbenzamide

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

E157-6614

Molecular Formula

C19H20N4O4S2 (C19 H20 N4 O4 S2)

Compound Name

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

IUPAC name

N-{5-[ethyl(4-methoxyphenyl)sulfamoyl]-134-thiadiazol-2-yl}-2-methylbenzamide

SMILES

CCN(c(cc1)ccc1OC)S(c1nnc(NC(c2c(C)cccc2)=O)s1)(=O)=O

InChI

InChI=1S/C19H20N4O4S2/c1-4-23(14-9-11-15(27-3)12-10-14)29(25,26)19-22-21-18(28-19)20-17(24)16-8-6-5-7-13(16)2/h5-12H,4H2,1-3H3,(H,20,21,24)

InChI Key

FPFOMGHVCHGXJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

2.011

Water Solubility, LogSw

-4.05

Polar Surface Area

85.743

Acid Dissociation Constant (pKa)

5.50

Base Dissociation Constant (pKb)

-7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

E157-6614 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 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 E157-6614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-6614?
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What is the minimum amount of E157-6614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-6614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-6614
  • 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 E157-6614 available by request