SA68-0946 Screening compound: N-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(1H-pyrazol-1-yl)propanamide

SA68-0946 Screening compound: N-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(1H-pyrazol-1-yl)propanamide
SA68-0946 Screening compound: N-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(1H-pyrazol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA68-0946
N-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(1H-pyrazol-1-yl)propanamide

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

SA68-0946

Molecular Formula

C22H35N5O3 (C22 H35 N5 O3)

Compound Name

N-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(1H-pyrazol-1-yl)propanamide

IUPAC name

N-{2-[(1-cyclopropanecarbonylpiperidin-4-yl)(oxan-4-yl)amino]ethyl}-3-(1H-pyrazol-1-yl)propanamide

SMILES

O=C(CCn1nccc1)NCCN(C(CC1)CCN1C(C1CC1)=O)C1CCOCC1

InChI

InChI=1S/C22H35N5O3/c28-21(6-14-26-11-1-9-24-26)23-10-15-27(20-7-16-30-17-8-20)19-4-12-25(13-5-19)22(29)18-2-3-18/h1,9,11,18-20H,2-8,10,12-17H2,(H,23,28)

InChI Key

SJTGVHIIDVMFHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32239150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.574

Distribution Coefficient, logD

-2.162

Water Solubility, LogSw

-1.05

Polar Surface Area

66.012

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

10.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.27

SA68-0946 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA68-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA68-0946?
Check Price and Availability of SA68-0946, 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 SA68-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA68-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA68-0946
  • 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 SA68-0946 available by request