SA96-1124 Screening compound: 6-benzyl-2-(3-methoxybenzoyl)-N-methyl-2,6-diazaspiro[3.4]octane-8-carboxamide

SA96-1124 Screening compound: 6-benzyl-2-(3-methoxybenzoyl)-N-methyl-2,6-diazaspiro[3.4]octane-8-carboxamide
SA96-1124 Screening compound: 6-benzyl-2-(3-methoxybenzoyl)-N-methyl-2,6-diazaspiro[3.4]octane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA96-1124
6-benzyl-2-(3-methoxybenzoyl)-N-methyl-2,6-diazaspiro[3.4]octane-8-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

SA96-1124

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

6-benzyl-2-(3-methoxybenzoyl)-N-methyl-2,6-diazaspiro[3.4]octane-8-carboxamide

IUPAC name

6-benzyl-2-(3-methoxybenzoyl)-N-methyl-26-diazaspiro[3.4]octane-8-carboxamide

SMILES

CNC(C1C(C2)(CN2C(c2cc(OC)ccc2)=O)CN(Cc2ccccc2)C1)=O

InChI

InChI=1S/C23H27N3O3/c1-24-21(27)20-13-25(12-17-7-4-3-5-8-17)14-23(20)15-26(16-23)22(28)18-9-6-10-19(11-18)29-2/h3-11,20H,12-16H2,1-2H3,(H,24,27)/t20-/m1/s1

InChI Key

VDJUZCUOLWQKIN-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32243529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.446

Distribution Coefficient, logD

-2.574

Water Solubility, LogSw

-2.11

Polar Surface Area

53.158

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

11.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

SA96-1124 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with SA96-1124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA96-1124?
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What is the minimum amount of SA96-1124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA96-1124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA96-1124
  • 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 SA96-1124 available by request