E157-2882 Screening compound: N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide

E157-2882 Screening compound: N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
E157-2882 Screening compound: N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-2882
N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide

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

E157-2882

Molecular Formula

C17H22N4O4S2 (C17 H22 N4 O4 S2)

Compound Name

N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide

IUPAC name

N-[5-(azepane-1-sulfonyl)-134-thiadiazol-2-yl]-2-phenoxypropanamide

SMILES

CC(C(Nc(s1)nnc1S(N1CCCCCC1)(=O)=O)=O)Oc1ccccc1

InChI

InChI=1S/C17H22N4O4S2/c1-13(25-14-9-5-4-6-10-14)15(22)18-16-19-20-17(26-16)27(23,24)21-11-7-2-3-8-12-21/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,18,19,22)/t13-/m0/s1

InChI Key

VDQQIKCDAABCQX-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14843719

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

3.458

Distribution Coefficient, logD

2.913

Water Solubility, LogSw

-3.78

Polar Surface Area

85.480

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

-5.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

E157-2882 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E157-2882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-2882?
Check Price and Availability of E157-2882, 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 E157-2882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-2882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-2882
  • 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 E157-2882 available by request