E136-1539 Screening compound: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-(1H-indol-3-yl)-2-oxoacetamide

E136-1539 Screening compound: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-(1H-indol-3-yl)-2-oxoacetamide
E136-1539 Screening compound: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-(1H-indol-3-yl)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-1539
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-(1H-indol-3-yl)-2-oxoacetamide

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

E136-1539

Molecular Formula

C19H13ClN4O3S (C19 H13 ClN4 O3 S)

Compound Name

N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-(1H-indol-3-yl)-2-oxoacetamide

IUPAC name

N-{5-[(4-chlorophenoxy)methyl]-134-thiadiazol-2-yl}-2-(1H-indol-3-yl)-2-oxoacetamide

SMILES

O=C(C(Nc1nnc(COc(cc2)ccc2Cl)s1)=O)c1c[nH]c2c1cccc2

InChI

InChI=1S/C19H13ClN4O3S/c20-11-5-7-12(8-6-11)27-10-16-23-24-19(28-16)22-18(26)17(25)14-9-21-15-4-2-1-3-13(14)15/h1-9,21H,10H2,(H,22,24,26)

InChI Key

VEASYGISPREVCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.424

Distribution Coefficient, logD

2.733

Water Solubility, LogSw

-4.86

Polar Surface Area

78.207

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

E136-1539 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E136-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-1539?
Check Price and Availability of E136-1539, 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 E136-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-1539
  • 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 E136-1539 available by request