E157-6027 Screening compound: N-{5-[ethyl(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-methoxybenzamide

E157-6027 Screening compound: N-{5-[ethyl(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-methoxybenzamide
E157-6027 Screening compound: N-{5-[ethyl(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-6027
N-{5-[ethyl(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-methoxybenzamide

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

E157-6027

Molecular Formula

C19H20N4O4S2 (C19 H20 N4 O4 S2)

Compound Name

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

IUPAC name

N-{5-[ethyl(3-methylphenyl)sulfamoyl]-134-thiadiazol-2-yl}-2-methoxybenzamide

SMILES

CCN(c1cc(C)ccc1)S(c1nnc(NC(c(cccc2)c2OC)=O)s1)(=O)=O

InChI

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

InChI Key

YBRVBLGOAKKIRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844180

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

4.010

Distribution Coefficient, logD

1.363

Water Solubility, LogSw

-4.18

Polar Surface Area

85.830

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

E157-6027 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E157-6027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-6027?
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What is the minimum amount of E157-6027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-6027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-6027
  • 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 E157-6027 available by request