E692-1000 Screening compound: 1-(azepane-1-sulfonyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide

E692-1000 Screening compound: 1-(azepane-1-sulfonyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
E692-1000 Screening compound: 1-(azepane-1-sulfonyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E692-1000
1-(azepane-1-sulfonyl)-N-[2-(2,4-dimethoxyphenyl)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

E692-1000

Molecular Formula

C22H35N3O5S (C22 H35 N3 O5 S)

Compound Name

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

IUPAC name

1-(azepane-1-sulfonyl)-N-[2-(24-dimethoxyphenyl)ethyl]piperidine-3-carboxamide

SMILES

COc1cc(OC)c(CCNC(C(CCC2)CN2S(N2CCCCCC2)(=O)=O)=O)cc1

InChI

InChI=1S/C22H35N3O5S/c1-29-20-10-9-18(21(16-20)30-2)11-12-23-22(26)19-8-7-15-25(17-19)31(27,28)24-13-5-3-4-6-14-24/h9-10,16,19H,3-8,11-15,17H2,1-2H3,(H,23,26)/t19-/m0/s1

InChI Key

VEFONKZQZQUAAW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14910430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.325

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-2.92

Polar Surface Area

74.049

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.20

E692-1000 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 E692-1000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E692-1000?
Check Price and Availability of E692-1000, 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 E692-1000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E692-1000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E692-1000
  • 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 E692-1000 available by request