SA22-0663 Screening compound: N-[(2-chlorophenyl)methyl]-4,4-difluoro-1-[1-(2-methoxyacetyl)azetidin-3-yl]pyrrolidine-2-carboxamide

SA22-0663 Screening compound: N-[(2-chlorophenyl)methyl]-4,4-difluoro-1-[1-(2-methoxyacetyl)azetidin-3-yl]pyrrolidine-2-carboxamide
SA22-0663 Screening compound: N-[(2-chlorophenyl)methyl]-4,4-difluoro-1-[1-(2-methoxyacetyl)azetidin-3-yl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA22-0663
N-[(2-chlorophenyl)methyl]-4,4-difluoro-1-[1-(2-methoxyacetyl)azetidin-3-yl]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

SA22-0663

Molecular Formula

C18H22ClF2N3O3 (C18 H22 ClF2 N3 O3)

Compound Name

N-[(2-chlorophenyl)methyl]-4,4-difluoro-1-[1-(2-methoxyacetyl)azetidin-3-yl]pyrrolidine-2-carboxamide

IUPAC name

(2S)-N-[(2-chlorophenyl)methyl]-44-difluoro-1-[1-(2-methoxyacetyl)azetidin-3-yl]pyrrolidine-2-carboxamide

SMILES

COCC(N(C1)CC1N(CC(C1)(F)F)[C@@H]1C(NCc(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C18H22ClF2N3O3/c1-27-10-16(25)23-8-13(9-23)24-11-18(20,21)6-15(24)17(26)22-7-12-4-2-3-5-14(12)19/h2-5,13,15H,6-11H2,1H3,(H,22,26)/t15-/m0/s1

InChI Key

YKMLAEXXANGBOV-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.84

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

1.295

Distribution Coefficient, logD

1.295

Water Solubility, LogSw

-2.43

Polar Surface Area

52.753

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

SA22-0663 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA22-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA22-0663?
Check Price and Availability of SA22-0663, 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 SA22-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA22-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA22-0663
  • 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 SA22-0663 available by request