SA22-0632 Screening compound: 2-[1-(1-cyclopropanecarbonylazetidin-3-yl)-4,4-difluoropyrrolidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

SA22-0632 Screening compound: 2-[1-(1-cyclopropanecarbonylazetidin-3-yl)-4,4-difluoropyrrolidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline
SA22-0632 Screening compound: 2-[1-(1-cyclopropanecarbonylazetidin-3-yl)-4,4-difluoropyrrolidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound SA22-0632
2-[1-(1-cyclopropanecarbonylazetidin-3-yl)-4,4-difluoropyrrolidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

SA22-0632

Molecular Formula

C21H25F2N3O2 (C21 H25 F2 N3 O2)

Compound Name

2-[1-(1-cyclopropanecarbonylazetidin-3-yl)-4,4-difluoropyrrolidine-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[(2S)-1-(1-cyclopropanecarbonylazetidin-3-yl)-44-difluoropyrrolidine-2-carbonyl]-1234-tetrahydroisoquinoline

SMILES

O=C(C1CC1)N(C1)CC1N(CC(C1)(F)F)[C@@H]1C(N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C21H25F2N3O2/c22-21(23)9-18(20(28)24-8-7-14-3-1-2-4-16(14)10-24)26(13-21)17-11-25(12-17)19(27)15-5-6-15/h1-4,15,17-18H,5-13H2/t18-/m1/s1

InChI Key

FCZRJKBMMHVYSD-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.356

Distribution Coefficient, logD

2.356

Water Solubility, LogSw

-2.59

Polar Surface Area

37.005

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SA22-0632 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SA22-0632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA22-0632?
Check Price and Availability of SA22-0632, 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 SA22-0632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA22-0632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA22-0632
  • 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 SA22-0632 available by request