E157-6613 Screening compound: 2-chloro-N-{5-[ethyl(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}benzamide

E157-6613 Screening compound: 2-chloro-N-{5-[ethyl(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}benzamide
E157-6613 Screening compound: 2-chloro-N-{5-[ethyl(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-6613
2-chloro-N-{5-[ethyl(4-methoxyphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}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

E157-6613

Molecular Formula

C18H17ClN4O4S2 (C18 H17 ClN4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(cc1)ccc1OC)S(c1nnc(NC(c(cccc2)c2Cl)=O)s1)(=O)=O

InChI

InChI=1S/C18H17ClN4O4S2/c1-3-23(12-8-10-13(27-2)11-9-12)29(25,26)18-22-21-17(28-18)20-16(24)14-6-4-5-7-15(14)19/h4-11H,3H2,1-2H3,(H,20,21,24)

InChI Key

DLKNJGBIQJIXMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.94

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

4.155

Distribution Coefficient, logD

1.849

Water Solubility, LogSw

-4.45

Polar Surface Area

85.743

Acid Dissociation Constant (pKa)

5.10

Base Dissociation Constant (pKb)

-8.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E157-6613 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 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 E157-6613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-6613?
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What is the minimum amount of E157-6613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-6613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-6613
  • 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 E157-6613 available by request