SA90-0203 Screening compound: 3-[({[1'-(pyridin-3-ylmethyl)-3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-yl]acetyl}amino)methyl]benzoic acid

SA90-0203 Screening compound: 3-[({[1'-(pyridin-3-ylmethyl)-3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-yl]acetyl}amino)methyl]benzoic acid
SA90-0203 Screening compound: 3-[({[1'-(pyridin-3-ylmethyl)-3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-yl]acetyl}amino)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound SA90-0203
3-[({[1'-(pyridin-3-ylmethyl)-3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-yl]acetyl}amino)methyl]benzoic acid

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

SA90-0203

Molecular Formula

C29H31N3O4 (C29 H31 N3 O4)

Compound Name

3-[({[1'-(pyridin-3-ylmethyl)-3,4-dihydrospiro[isochromene-1,4'-piperidin]-3-yl]acetyl}amino)methyl]benzoic acid

IUPAC name

3-[(2-{1'-[(pyridin-3-yl)methyl]-34-dihydrospiro[2-benzopyran-14'-piperidin]-3-yl}acetamido)methyl]benzoic acid

SMILES

OC(c1cc(CNC(CC(C2)OC3(CCN(Cc4cnccc4)CC3)c3c2cccc3)=O)ccc1)=O

InChI

InChI=1S/C29H31N3O4/c33-27(31-19-21-5-3-8-24(15-21)28(34)35)17-25-16-23-7-1-2-9-26(23)29(36-25)10-13-32(14-11-29)20-22-6-4-12-30-18-22/h1-9,12,15,18,25H,10-11,13-14,16-17,19-20H2,(H,31,33)(H,34,35)/t25-/m1/s1

InChI Key

WOCKSKMQTMKWLH-RUZDIDTESA-N

MDL Number (MFCD)

MFCD32241550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.167

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-3.29

Polar Surface Area

72.401

Acid Dissociation Constant (pKa)

4.04

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.48

SA90-0203 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA90-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA90-0203?
Check Price and Availability of SA90-0203, 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 SA90-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA90-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA90-0203
  • 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 SA90-0203 available by request