S690-0397 Screening compound: N~1~-cyclopropyl-4-[(1-isobutyryl-4-piperidyl)methyl]benzamide

S690-0397 Screening compound: N~1~-cyclopropyl-4-[(1-isobutyryl-4-piperidyl)methyl]benzamide
S690-0397 Screening compound: N~1~-cyclopropyl-4-[(1-isobutyryl-4-piperidyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-0397
N~1~-cyclopropyl-4-[(1-isobutyryl-4-piperidyl)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

S690-0397

Molecular Formula

C20H28N2O2 (C20 H28 N2 O2)

Compound Name

N~1~-cyclopropyl-4-[(1-isobutyryl-4-piperidyl)methyl]benzamide

IUPAC name

N-cyclopropyl-4-{[1-(2-methylpropanoyl)piperidin-4-yl]methyl}benzamide

SMILES

CC(C)C(N1CCC(Cc(cc2)ccc2C(NC2CC2)=O)CC1)=O

InChI

InChI=1S/C20H28N2O2/c1-14(2)20(24)22-11-9-16(10-12-22)13-15-3-5-17(6-4-15)19(23)21-18-7-8-18/h3-6,14,16,18H,7-13H2,1-2H3,(H,21,23)

InChI Key

CDDRDTXCGNAKBS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.167

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-3.27

Polar Surface Area

41.356

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

S690-0397 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S690-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-0397?
Check Price and Availability of S690-0397, 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 S690-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-0397
  • 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 S690-0397 available by request