SA90-0037 Screening compound: 2-[1'-(cyclopropylmethyl)-3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-yl]-N-isopropylacetamide

SA90-0037 Screening compound: 2-[1'-(cyclopropylmethyl)-3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-yl]-N-isopropylacetamide
SA90-0037 Screening compound: 2-[1'-(cyclopropylmethyl)-3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-yl]-N-isopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA90-0037
2-[1'-(cyclopropylmethyl)-3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-yl]-N-isopropylacetamide

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

SA90-0037

Molecular Formula

C22H32N2O2 (C22 H32 N2 O2)

Compound Name

2-[1'-(cyclopropylmethyl)-3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-yl]-N-isopropylacetamide

IUPAC name

2-[1'-(cyclopropylmethyl)-34-dihydrospiro[2-benzopyran-14'-piperidin]-3-yl]-N-(propan-2-yl)acetamide

SMILES

CC(C)NC(CC(C1)OC2(CCN(CC3CC3)CC2)c2c1cccc2)=O

InChI

InChI=1S/C22H32N2O2/c1-16(2)23-21(25)14-19-13-18-5-3-4-6-20(18)22(26-19)9-11-24(12-10-22)15-17-7-8-17/h3-6,16-17,19H,7-15H2,1-2H3,(H,23,25)/t19-/m1/s1

InChI Key

JGDGRXWZWMFXDB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32241794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.404

Distribution Coefficient, logD

-0.055

Water Solubility, LogSw

-3.68

Polar Surface Area

34.244

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

10.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

SA90-0037 in Drug Discovery

Included in Screening Libraries

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 SA90-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA90-0037?
Check Price and Availability of SA90-0037, 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 SA90-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA90-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA90-0037
  • 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 SA90-0037 available by request