E515-0209 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(morpholine-4-sulfonyl)piperidine-3-carboxamide

E515-0209 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(morpholine-4-sulfonyl)piperidine-3-carboxamide
E515-0209 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(morpholine-4-sulfonyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E515-0209
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(morpholine-4-sulfonyl)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

E515-0209

Molecular Formula

C22H35N3O6S (C22 H35 N3 O6 S)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-1-(morpholine-4-sulfonyl)piperidine-3-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-1-(morpholine-4-sulfonyl)piperidine-3-carboxamide

SMILES

CCOc(ccc(CCNC(C(CCC1)CN1S(N1CCOCC1)(=O)=O)=O)c1)c1OCC

InChI

InChI=1S/C22H35N3O6S/c1-3-30-20-8-7-18(16-21(20)31-4-2)9-10-23-22(26)19-6-5-11-25(17-19)32(27,28)24-12-14-29-15-13-24/h7-8,16,19H,3-6,9-15,17H2,1-2H3,(H,23,26)/t19-/m0/s1

InChI Key

KNKUHAUHPDSTGP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14894008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.564

Distribution Coefficient, logD

0.564

Water Solubility, LogSw

-2.37

Polar Surface Area

80.873

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.20

E515-0209 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E515-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E515-0209?
Check Price and Availability of E515-0209, 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 E515-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E515-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E515-0209
  • 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 E515-0209 available by request