E157-0891 Screening compound: 2-phenoxy-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-yl]acetamide

E157-0891 Screening compound: 2-phenoxy-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
E157-0891 Screening compound: 2-phenoxy-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-0891
2-phenoxy-N-[5-(piperidine-1-sulfonyl)-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

E157-0891

Molecular Formula

C15H18N4O4S2 (C15 H18 N4 O4 S2)

Compound Name

2-phenoxy-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-yl]acetamide

IUPAC name

2-phenoxy-N-[5-(piperidine-1-sulfonyl)-134-thiadiazol-2-yl]acetamide

SMILES

O=C(COc1ccccc1)Nc(s1)nnc1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C15H18N4O4S2/c20-13(11-23-12-7-3-1-4-8-12)16-14-17-18-15(24-14)25(21,22)19-9-5-2-6-10-19/h1,3-4,7-8H,2,5-6,9-11H2,(H,16,17,20)

InChI Key

JQTLFQLZAQENNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.599

Distribution Coefficient, logD

2.219

Water Solubility, LogSw

-3.14

Polar Surface Area

85.646

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E157-0891 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E157-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-0891?
Check Price and Availability of E157-0891, 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 E157-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-0891
  • 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 E157-0891 available by request