SA22-0586 Screening compound: 1-(1-cyclopropanecarbonylazetidin-3-yl)-4,4-difluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide

SA22-0586 Screening compound: 1-(1-cyclopropanecarbonylazetidin-3-yl)-4,4-difluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
SA22-0586 Screening compound: 1-(1-cyclopropanecarbonylazetidin-3-yl)-4,4-difluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA22-0586
1-(1-cyclopropanecarbonylazetidin-3-yl)-4,4-difluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-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

SA22-0586

Molecular Formula

C23H28F2N4O2 (C23 H28 F2 N4 O2)

Compound Name

1-(1-cyclopropanecarbonylazetidin-3-yl)-4,4-difluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide

IUPAC name

(2S)-1-(1-cyclopropanecarbonylazetidin-3-yl)-44-difluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide

SMILES

Cc(cc1)cc2c1[nH]cc2CCNC([C@H](CC(C1)(F)F)N1C(C1)CN1C(C1CC1)=O)=O

InChI

InChI=1S/C23H28F2N4O2/c1-14-2-5-19-18(8-14)16(10-27-19)6-7-26-21(30)20-9-23(24,25)13-29(20)17-11-28(12-17)22(31)15-3-4-15/h2,5,8,10,15,17,20,27H,3-4,6-7,9,11-13H2,1H3,(H,26,30)/t20-/m1/s1

InChI Key

IEMGSGMLMVRWAA-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.710

Distribution Coefficient, logD

2.710

Water Solubility, LogSw

-2.98

Polar Surface Area

54.820

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

SA22-0586 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA22-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA22-0586?
Check Price and Availability of SA22-0586, 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 SA22-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA22-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA22-0586
  • 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 SA22-0586 available by request