E157-0969 Screening compound: 2-(3-methylphenoxy)-N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}acetamide

E157-0969 Screening compound: 2-(3-methylphenoxy)-N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}acetamide
E157-0969 Screening compound: 2-(3-methylphenoxy)-N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-0969
2-(3-methylphenoxy)-N-{5-[(4-methylpiperidin-1-yl)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

E157-0969

Molecular Formula

C17H22N4O4S2 (C17 H22 N4 O4 S2)

Compound Name

2-(3-methylphenoxy)-N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}acetamide

IUPAC name

2-(3-methylphenoxy)-N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-134-thiadiazol-2-yl}acetamide

SMILES

CC(CC1)CCN1S(c1nnc(NC(COc2cc(C)ccc2)=O)s1)(=O)=O

InChI

InChI=1S/C17H22N4O4S2/c1-12-6-8-21(9-7-12)27(23,24)17-20-19-16(26-17)18-15(22)11-25-14-5-3-4-13(2)10-14/h3-5,10,12H,6-9,11H2,1-2H3,(H,18,19,22)

InChI Key

WXACETRZFXRRMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

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

3.593

Distribution Coefficient, logD

3.213

Water Solubility, LogSw

-3.74

Polar Surface Area

85.646

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

E157-0969 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E157-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-0969?
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What is the minimum amount of E157-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-0969
  • 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 E157-0969 available by request