S690-0118 Screening compound: 4-[(1-propanoylpiperidin-4-yl)methyl]benzamide

S690-0118 Screening compound: 4-[(1-propanoylpiperidin-4-yl)methyl]benzamide
S690-0118 Screening compound: 4-[(1-propanoylpiperidin-4-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-0118
4-[(1-propanoylpiperidin-4-yl)methyl]benzamide

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

S690-0118

Molecular Formula

C16H22N2O2 (C16 H22 N2 O2)

Compound Name

4-[(1-propanoylpiperidin-4-yl)methyl]benzamide

IUPAC name

4-[(1-propanoylpiperidin-4-yl)methyl]benzamide

SMILES

CCC(N1CCC(Cc(cc2)ccc2C(N)=O)CC1)=O

InChI

InChI=1S/C16H22N2O2/c1-2-15(19)18-9-7-13(8-10-18)11-12-3-5-14(6-4-12)16(17)20/h3-6,13H,2,7-11H2,1H3,(H2,17,20)

InChI Key

OUWUZOZVZZXYEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30463231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.931

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-2.26

Polar Surface Area

50.418

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S690-0118 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S690-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-0118?
Check Price and Availability of S690-0118, 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 S690-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-0118
  • 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 S690-0118 available by request