E157-2863 Screening compound: N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

E157-2863 Screening compound: N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
E157-2863 Screening compound: N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-2863
N-[5-(azepane-1-sulfonyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

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

E157-2863

Molecular Formula

C15H24N4O3S2 (C15 H24 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCCCC1)Nc(s1)nnc1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C15H24N4O3S2/c20-13(12-8-4-3-5-9-12)16-14-17-18-15(23-14)24(21,22)19-10-6-1-2-7-11-19/h12H,1-11H2,(H,16,17,20)

InChI Key

MVTALOLEYRJWKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.51

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

3.371

Distribution Coefficient, logD

2.561

Water Solubility, LogSw

-3.40

Polar Surface Area

78.884

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

-5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.00

E157-2863 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E157-2863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-2863?
Check Price and Availability of E157-2863, 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 E157-2863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-2863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-2863
  • 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 E157-2863 available by request