SA22-0527 Screening compound: N-(1-benzylpiperidin-4-yl)-1-(1-cyclopropanecarbonylazetidin-3-yl)-4,4-difluoropyrrolidine-2-carboxamide

SA22-0527 Screening compound: N-(1-benzylpiperidin-4-yl)-1-(1-cyclopropanecarbonylazetidin-3-yl)-4,4-difluoropyrrolidine-2-carboxamide
SA22-0527 Screening compound: N-(1-benzylpiperidin-4-yl)-1-(1-cyclopropanecarbonylazetidin-3-yl)-4,4-difluoropyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA22-0527
N-(1-benzylpiperidin-4-yl)-1-(1-cyclopropanecarbonylazetidin-3-yl)-4,4-difluoropyrrolidine-2-carboxamide

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

SA22-0527

Molecular Formula

C24H32F2N4O2 (C24 H32 F2 N4 O2)

Compound Name

N-(1-benzylpiperidin-4-yl)-1-(1-cyclopropanecarbonylazetidin-3-yl)-4,4-difluoropyrrolidine-2-carboxamide

IUPAC name

(2S)-N-(1-benzylpiperidin-4-yl)-1-(1-cyclopropanecarbonylazetidin-3-yl)-44-difluoropyrrolidine-2-carboxamide

SMILES

O=C(C1CC1)N(C1)CC1N(CC(C1)(F)F)[C@@H]1C(NC1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C24H32F2N4O2/c25-24(26)12-21(30(16-24)20-14-29(15-20)23(32)18-6-7-18)22(31)27-19-8-10-28(11-9-19)13-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H,27,31)/t21-/m1/s1

InChI Key

BYWPYXFLLAFMKO-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.187

Distribution Coefficient, logD

0.629

Water Solubility, LogSw

-2.48

Polar Surface Area

48.374

Acid Dissociation Constant (pKa)

15.75

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SA22-0527 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA22-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA22-0527?
Check Price and Availability of SA22-0527, 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 SA22-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA22-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA22-0527
  • 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 SA22-0527 available by request