S690-0831 Screening compound: 3-methyl-1-(4-{[4-(morpholine-4-carbonyl)phenyl]methyl}piperidin-1-yl)butan-1-one

S690-0831 Screening compound: 3-methyl-1-(4-{[4-(morpholine-4-carbonyl)phenyl]methyl}piperidin-1-yl)butan-1-one
S690-0831 Screening compound: 3-methyl-1-(4-{[4-(morpholine-4-carbonyl)phenyl]methyl}piperidin-1-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-0831
3-methyl-1-(4-{[4-(morpholine-4-carbonyl)phenyl]methyl}piperidin-1-yl)butan-1-one

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

S690-0831

Molecular Formula

C22H32N2O3 (C22 H32 N2 O3)

Compound Name

3-methyl-1-(4-{[4-(morpholine-4-carbonyl)phenyl]methyl}piperidin-1-yl)butan-1-one

IUPAC name

3-methyl-1-(4-{[4-(morpholine-4-carbonyl)phenyl]methyl}piperidin-1-yl)butan-1-one

SMILES

CC(C)CC(N1CCC(Cc(cc2)ccc2C(N2CCOCC2)=O)CC1)=O

InChI

InChI=1S/C22H32N2O3/c1-17(2)15-21(25)23-9-7-19(8-10-23)16-18-3-5-20(6-4-18)22(26)24-11-13-27-14-12-24/h3-6,17,19H,7-16H2,1-2H3

InChI Key

KZBMCVRVQZUBST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31973960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.787

Distribution Coefficient, logD

2.787

Water Solubility, LogSw

-2.95

Polar Surface Area

40.916

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.64

S690-0831 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S690-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-0831?
Check Price and Availability of S690-0831, 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 S690-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-0831
  • 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 S690-0831 available by request