SA90-0172 Screening compound: 3-(2-azetidin-1-yl-2-oxoethyl)-1'-(cyclobutylcarbonyl)-3,4-dihydrospiro[isochromene-1,4'-piperidine]

SA90-0172 Screening compound: 3-(2-azetidin-1-yl-2-oxoethyl)-1'-(cyclobutylcarbonyl)-3,4-dihydrospiro[isochromene-1,4'-piperidine]
SA90-0172 Screening compound: 3-(2-azetidin-1-yl-2-oxoethyl)-1'-(cyclobutylcarbonyl)-3,4-dihydrospiro[isochromene-1,4'-piperidine] alternative view

Chemical Structure Depiction of ChemDiv screening compound SA90-0172
3-(2-azetidin-1-yl-2-oxoethyl)-1'-(cyclobutylcarbonyl)-3,4-dihydrospiro[isochromene-1,4'-piperidine]

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

SA90-0172

Molecular Formula

C23H30N2O3 (C23 H30 N2 O3)

Compound Name

3-(2-azetidin-1-yl-2-oxoethyl)-1'-(cyclobutylcarbonyl)-3,4-dihydrospiro[isochromene-1,4'-piperidine]

IUPAC name

1-(azetidin-1-yl)-2-{1'-cyclobutanecarbonyl-34-dihydrospiro[2-benzopyran-14'-piperidin]-3-yl}ethan-1-one

SMILES

O=C(CC(C1)OC(CC2)(CCN2C(C2CCC2)=O)c2c1cccc2)N1CCC1

InChI

InChI=1S/C23H30N2O3/c26-21(24-11-4-12-24)16-19-15-18-5-1-2-8-20(18)23(28-19)9-13-25(14-10-23)22(27)17-6-3-7-17/h1-2,5,8,17,19H,3-4,6-7,9-16H2/t19-/m1/s1

InChI Key

XILWGFWIHAXYJP-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32243177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.5

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

2.044

Distribution Coefficient, logD

2.044

Water Solubility, LogSw

-2.64

Polar Surface Area

40.166

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.22

SA90-0172 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA90-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA90-0172?
Check Price and Availability of SA90-0172, 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 SA90-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA90-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA90-0172
  • 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 SA90-0172 available by request