SA96-1206 Screening compound: 6-benzyl-2-[2-(1-isopropyl-4-piperidyl)acetyl]-N-methyl-2,6-diazaspiro[3.4]octane-8-carboxamide

SA96-1206 Screening compound: 6-benzyl-2-[2-(1-isopropyl-4-piperidyl)acetyl]-N-methyl-2,6-diazaspiro[3.4]octane-8-carboxamide
SA96-1206 Screening compound: 6-benzyl-2-[2-(1-isopropyl-4-piperidyl)acetyl]-N-methyl-2,6-diazaspiro[3.4]octane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA96-1206
6-benzyl-2-[2-(1-isopropyl-4-piperidyl)acetyl]-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

SA96-1206

Molecular Formula

C25H38N4O2 (C25 H38 N4 O2)

Compound Name

6-benzyl-2-[2-(1-isopropyl-4-piperidyl)acetyl]-N-methyl-2,6-diazaspiro[3.4]octane-8-carboxamide

IUPAC name

6-benzyl-N-methyl-2-{2-[1-(propan-2-yl)piperidin-4-yl]acetyl}-26-diazaspiro[3.4]octane-8-carboxamide

SMILES

CC(C)N1CCC(CC(N(C2)CC2(CN(Cc2ccccc2)C2)C2C(NC)=O)=O)CC1

InChI

InChI=1S/C25H38N4O2/c1-19(2)28-11-9-20(10-12-28)13-23(30)29-17-25(18-29)16-27(15-22(25)24(31)26-3)14-21-7-5-4-6-8-21/h4-8,19-20,22H,9-18H2,1-3H3,(H,26,31)/t22-/m1/s1

InChI Key

YKSRLHZWZMQQTM-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD32244019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.699

Distribution Coefficient, logD

-2.437

Water Solubility, LogSw

-2.07

Polar Surface Area

49.143

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

11.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.00

SA96-1206 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 SA96-1206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA96-1206?
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What is the minimum amount of SA96-1206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA96-1206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA96-1206
  • 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 SA96-1206 available by request