SA90-0253 Screening compound: methyl 3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-ylacetate

SA90-0253 Screening compound: methyl 3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-ylacetate
SA90-0253 Screening compound: methyl 3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-ylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound SA90-0253
methyl 3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-ylacetate

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

SA90-0253

Molecular Formula

C16H21NO3 (C16 H21 NO3)

Compound Name

methyl 3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-ylacetate

IUPAC name

methyl 2-{34-dihydrospiro[2-benzopyran-14'-piperidin]-3-yl}acetate

SMILES

COC(CC(C1)OC2(CCNCC2)c2c1cccc2)=O

InChI

InChI=1S/C16H21NO3/c1-19-15(18)11-13-10-12-4-2-3-5-14(12)16(20-13)6-8-17-9-7-16/h2-5,13,17H,6-11H2,1H3/t13-/m1/s1

InChI Key

BNNOKCWNIUBJND-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD32200571

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

275.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.198

Distribution Coefficient, logD

-1.696

Water Solubility, LogSw

-1.94

Polar Surface Area

39.274

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

10.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

SA90-0253 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with SA90-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA90-0253?
Check Price and Availability of SA90-0253, 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 SA90-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA90-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA90-0253
  • 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 SA90-0253 available by request