E692-0894 Screening compound: 1-(azepane-1-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

E692-0894 Screening compound: 1-(azepane-1-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
E692-0894 Screening compound: 1-(azepane-1-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E692-0894
1-(azepane-1-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

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

E692-0894

Molecular Formula

C20H32N4O5S2 (C20 H32 N4 O5 S2)

Compound Name

1-(azepane-1-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

IUPAC name

1-(azepane-1-sulfonyl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

SMILES

NS(c1ccc(CCNC(C(CCC2)CN2S(N2CCCCCC2)(=O)=O)=O)cc1)(=O)=O

InChI

InChI=1S/C20H32N4O5S2/c21-30(26,27)19-9-7-17(8-10-19)11-12-22-20(25)18-6-5-15-24(16-18)31(28,29)23-13-3-1-2-4-14-23/h7-10,18H,1-6,11-16H2,(H,22,25)(H2,21,26,27)/t18-/m0/s1

InChI Key

REEMPDAYJKSEGB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14910408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.63

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.401

Distribution Coefficient, logD

0.400

Water Solubility, LogSw

-2.13

Polar Surface Area

109.478

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

E692-0894 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E692-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E692-0894?
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What is the minimum amount of E692-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E692-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E692-0894
  • 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 E692-0894 available by request