E157-0172 Screening compound: 3,4-dimethoxy-N-{5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}benzamide

E157-0172 Screening compound: 3,4-dimethoxy-N-{5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}benzamide
E157-0172 Screening compound: 3,4-dimethoxy-N-{5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-0172
3,4-dimethoxy-N-{5-[(3-methylphenyl)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

E157-0172

Molecular Formula

C18H18N4O5S2 (C18 H18 N4 O5 S2)

Compound Name

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

IUPAC name

34-dimethoxy-N-{5-[(3-methylphenyl)sulfamoyl]-134-thiadiazol-2-yl}benzamide

SMILES

Cc1cccc(NS(c2nnc(NC(c(cc3)cc(OC)c3OC)=O)s2)(=O)=O)c1

InChI

InChI=1S/C18H18N4O5S2/c1-11-5-4-6-13(9-11)22-29(24,25)18-21-20-17(28-18)19-16(23)12-7-8-14(26-2)15(10-12)27-3/h4-10,22H,1-3H3,(H,19,20,23)

InChI Key

AUEXZPJDJRGUBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.570

Distribution Coefficient, logD

2.986

Water Solubility, LogSw

-3.81

Polar Surface Area

102.560

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

-7.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E157-0172 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E157-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-0172?
Check Price and Availability of E157-0172, 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 E157-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-0172
  • 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 E157-0172 available by request