S787-0517 Screening compound: N-ethyl-4-({4-[2-(methylcarbamoyl)ethyl]phenyl}methyl)piperidine-1-carboxamide

S787-0517 Screening compound: N-ethyl-4-({4-[2-(methylcarbamoyl)ethyl]phenyl}methyl)piperidine-1-carboxamide
S787-0517 Screening compound: N-ethyl-4-({4-[2-(methylcarbamoyl)ethyl]phenyl}methyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-0517
N-ethyl-4-({4-[2-(methylcarbamoyl)ethyl]phenyl}methyl)piperidine-1-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

S787-0517

Molecular Formula

C19H29N3O2 (C19 H29 N3 O2)

Compound Name

N-ethyl-4-({4-[2-(methylcarbamoyl)ethyl]phenyl}methyl)piperidine-1-carboxamide

IUPAC name

N-ethyl-4-({4-[2-(methylcarbamoyl)ethyl]phenyl}methyl)piperidine-1-carboxamide

SMILES

CCNC(N1CCC(Cc2ccc(CCC(NC)=O)cc2)CC1)=O

InChI

InChI=1S/C19H29N3O2/c1-3-21-19(24)22-12-10-17(11-13-22)14-16-6-4-15(5-7-16)8-9-18(23)20-2/h4-7,17H,3,8-14H2,1-2H3,(H,20,23)(H,21,24)

InChI Key

AQURUWGNHCJZJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.197

Distribution Coefficient, logD

2.197

Water Solubility, LogSw

-2.57

Polar Surface Area

51.277

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

S787-0517 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S787-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-0517?
Check Price and Availability of S787-0517, 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 S787-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-0517
  • 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 S787-0517 available by request