E136-0855 Screening compound: 2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

E136-0855 Screening compound: 2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
E136-0855 Screening compound: 2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E136-0855
2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

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

E136-0855

Molecular Formula

C16H22N4O3S2 (C16 H22 N4 O3 S2)

Compound Name

2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

IUPAC name

2-[1-(2-methoxyethyl)-25-dimethyl-1H-pyrrol-3-yl]-2-oxo-N-[5-(propylsulfanyl)-134-thiadiazol-2-yl]acetamide

SMILES

CCCSc1nnc(NC(C(c2c(C)n(CCOC)c(C)c2)=O)=O)s1

InChI

InChI=1S/C16H22N4O3S2/c1-5-8-24-16-19-18-15(25-16)17-14(22)13(21)12-9-10(2)20(11(12)3)6-7-23-4/h9H,5-8H2,1-4H3,(H,17,18,22)

InChI Key

BVIOZOHKKITFLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.180

Distribution Coefficient, logD

3.134

Water Solubility, LogSw

-3.41

Polar Surface Area

70.488

Acid Dissociation Constant (pKa)

8.36

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E136-0855 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Anti-HIV1 Library (19540 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with E136-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E136-0855?
Check Price and Availability of E136-0855, 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 E136-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E136-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E136-0855
  • 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 E136-0855 available by request