S787-1456 Screening compound: N-methyl-4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidine-1-carboxamide

S787-1456 Screening compound: N-methyl-4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidine-1-carboxamide
S787-1456 Screening compound: N-methyl-4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S787-1456
N-methyl-4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]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

S787-1456

Molecular Formula

C21H31N3O2 (C21 H31 N3 O2)

Compound Name

N-methyl-4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidine-1-carboxamide

IUPAC name

N-methyl-4-({4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}methyl)piperidine-1-carboxamide

SMILES

CNC(N1CCC(Cc2ccc(CCC(N3CCCC3)=O)cc2)CC1)=O

InChI

InChI=1S/C21H31N3O2/c1-22-21(26)24-14-10-19(11-15-24)16-18-6-4-17(5-7-18)8-9-20(25)23-12-2-3-13-23/h4-7,19H,2-3,8-16H2,1H3,(H,22,26)

InChI Key

ZMGOUVULIYXUKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.101

Distribution Coefficient, logD

3.101

Water Solubility, LogSw

-3.20

Polar Surface Area

43.667

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

S787-1456 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S787-1456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S787-1456?
Check Price and Availability of S787-1456, 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 S787-1456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S787-1456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S787-1456
  • 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 S787-1456 available by request