SA17-0048 Screening compound: 5-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}-1-(2-methoxyethyl)-6-methylpiperidin-2-one

SA17-0048 Screening compound: 5-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}-1-(2-methoxyethyl)-6-methylpiperidin-2-one
SA17-0048 Screening compound: 5-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}-1-(2-methoxyethyl)-6-methylpiperidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA17-0048
5-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}-1-(2-methoxyethyl)-6-methylpiperidin-2-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

SA17-0048

Molecular Formula

C22H32ClN3O4 (C22 H32 ClN3 O4)

Compound Name

5-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}-1-(2-methoxyethyl)-6-methylpiperidin-2-one

IUPAC name

(5R6R)-5-{4-[2-(4-chlorophenoxy)ethyl]piperazine-1-carbonyl}-1-(2-methoxyethyl)-6-methylpiperidin-2-one

SMILES

C[C@@H]([C@H](CC1)C(N2CCN(CCOc(cc3)ccc3Cl)CC2)=O)N(CCOC)C1=O

InChI

InChI=1S/C22H32ClN3O4/c1-17-20(7-8-21(27)26(17)14-15-29-2)22(28)25-11-9-24(10-12-25)13-16-30-19-5-3-18(23)4-6-19/h3-6,17,20H,7-16H2,1-2H3/t17-,20-/m0/s1

InChI Key

JUQKWHJTVOGRBX-PXNSSMCTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.249

Distribution Coefficient, logD

2.225

Water Solubility, LogSw

-3.15

Polar Surface Area

52.240

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.64

SA17-0048 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA17-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA17-0048?
Check Price and Availability of SA17-0048, 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 SA17-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA17-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA17-0048
  • 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 SA17-0048 available by request