SA64-1237 Screening compound: N~9~-(3-ethylphenyl)-4-{[(3-pyridylcarbonyl)amino]methyl}-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

SA64-1237 Screening compound: N~9~-(3-ethylphenyl)-4-{[(3-pyridylcarbonyl)amino]methyl}-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SA64-1237 Screening compound: N~9~-(3-ethylphenyl)-4-{[(3-pyridylcarbonyl)amino]methyl}-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA64-1237
N~9~-(3-ethylphenyl)-4-{[(3-pyridylcarbonyl)amino]methyl}-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

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

SA64-1237

Molecular Formula

C25H32N4O3 (C25 H32 N4 O3)

Compound Name

N~9~-(3-ethylphenyl)-4-{[(3-pyridylcarbonyl)amino]methyl}-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

IUPAC name

N-(3-ethylphenyl)-4-{[(pyridin-3-yl)formamido]methyl}-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

SMILES

CCc1cccc(NC(N(CC2)CCC22OCCC(CNC(c3cnccc3)=O)C2)=O)c1

InChI

InChI=1S/C25H32N4O3/c1-2-19-5-3-7-22(15-19)28-24(31)29-12-9-25(10-13-29)16-20(8-14-32-25)17-27-23(30)21-6-4-11-26-18-21/h3-7,11,15,18,20H,2,8-10,12-14,16-17H2,1H3,(H,27,30)(H,28,31)/t20-/m1/s1

InChI Key

JJVBKZAZVLHJHW-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32239093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.836

Distribution Coefficient, logD

2.836

Water Solubility, LogSw

-3.09

Polar Surface Area

66.241

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

SA64-1237 in Drug Discovery

Included in Screening Libraries

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 SA64-1237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA64-1237?
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What is the minimum amount of SA64-1237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA64-1237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA64-1237
  • 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 SA64-1237 available by request