SA64-0885 Screening compound: N-({9-[2-(4-methoxyphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)isonicotinamide

SA64-0885 Screening compound: N-({9-[2-(4-methoxyphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)isonicotinamide
SA64-0885 Screening compound: N-({9-[2-(4-methoxyphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)isonicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA64-0885
N-({9-[2-(4-methoxyphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)isonicotinamide

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

SA64-0885

Molecular Formula

C25H31N3O4 (C25 H31 N3 O4)

Compound Name

N-({9-[2-(4-methoxyphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}methyl)isonicotinamide

IUPAC name

N-({9-[2-(4-methoxyphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl}methyl)pyridine-4-carboxamide

SMILES

COc1ccc(CC(N(CC2)CCC22OCCC(CNC(c3ccncc3)=O)C2)=O)cc1

InChI

InChI=1S/C25H31N3O4/c1-31-22-4-2-19(3-5-22)16-23(29)28-13-9-25(10-14-28)17-20(8-15-32-25)18-27-24(30)21-6-11-26-12-7-21/h2-7,11-12,20H,8-10,13-18H2,1H3,(H,27,30)/t20-/m0/s1

InChI Key

NOZPGWRVXKWZQI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32239405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

1.886

Water Solubility, LogSw

-1.88

Polar Surface Area

64.347

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

SA64-0885 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA64-0885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA64-0885?
Check Price and Availability of SA64-0885, 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 SA64-0885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA64-0885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA64-0885
  • 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 SA64-0885 available by request