E157-2820 Screening compound: N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide

E157-2820 Screening compound: N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
E157-2820 Screening compound: N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-2820
N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide

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

E157-2820

Molecular Formula

C16H20N4O3S2 (C16 H20 N4 O3 S2)

Compound Name

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

IUPAC name

N-[5-(azepane-1-sulfonyl)-134-thiadiazol-2-yl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(Nc(s1)nnc1S(N1CCCCCC1)(=O)=O)=O

InChI

InChI=1S/C16H20N4O3S2/c1-12-6-8-13(9-7-12)14(21)17-15-18-19-16(24-15)25(22,23)20-10-4-2-3-5-11-20/h6-9H,2-5,10-11H2,1H3,(H,17,18,21)

InChI Key

LHWPJQZBLIIWNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.612

Distribution Coefficient, logD

1.901

Water Solubility, LogSw

-3.69

Polar Surface Area

78.691

Acid Dissociation Constant (pKa)

5.70

Base Dissociation Constant (pKb)

-5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

E157-2820 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E157-2820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-2820?
Check Price and Availability of E157-2820, 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 E157-2820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-2820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-2820
  • 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 E157-2820 available by request