E157-2871 Screening compound: N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethylphenoxy)acetamide

E157-2871 Screening compound: N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethylphenoxy)acetamide
E157-2871 Screening compound: N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-2871
N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethylphenoxy)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

E157-2871

Molecular Formula

C18H24N4O4S2 (C18 H24 N4 O4 S2)

Compound Name

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

IUPAC name

N-[5-(azepane-1-sulfonyl)-134-thiadiazol-2-yl]-2-(34-dimethylphenoxy)acetamide

SMILES

Cc(cc1)c(C)cc1OCC(Nc(s1)nnc1S(N1CCCCCC1)(=O)=O)=O

InChI

InChI=1S/C18H24N4O4S2/c1-13-7-8-15(11-14(13)2)26-12-16(23)19-17-20-21-18(27-17)28(24,25)22-9-5-3-4-6-10-22/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,20,23)

InChI Key

XTGVISIPEFUMSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.55

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

4.160

Distribution Coefficient, logD

3.780

Water Solubility, LogSw

-4.12

Polar Surface Area

85.977

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E157-2871 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with E157-2871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-2871?
Check Price and Availability of E157-2871, 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 E157-2871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-2871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-2871
  • 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 E157-2871 available by request