SA96-1356 Screening compound: 1-[6-benzyl-8-(1-pyrrolidinylcarbonyl)-2,6-diazaspiro[3.4]oct-2-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone

SA96-1356 Screening compound: 1-[6-benzyl-8-(1-pyrrolidinylcarbonyl)-2,6-diazaspiro[3.4]oct-2-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone
SA96-1356 Screening compound: 1-[6-benzyl-8-(1-pyrrolidinylcarbonyl)-2,6-diazaspiro[3.4]oct-2-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA96-1356
1-[6-benzyl-8-(1-pyrrolidinylcarbonyl)-2,6-diazaspiro[3.4]oct-2-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone

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

SA96-1356

Molecular Formula

C26H35N5O2 (C26 H35 N5 O2)

Compound Name

1-[6-benzyl-8-(1-pyrrolidinylcarbonyl)-2,6-diazaspiro[3.4]oct-2-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-propanone

IUPAC name

1-[6-benzyl-8-(pyrrolidine-1-carbonyl)-26-diazaspiro[3.4]octan-2-yl]-3-(35-dimethyl-1H-pyrazol-1-yl)propan-1-one

SMILES

Cc1cc(C)nn1CCC(N(C1)CC1(CN(Cc1ccccc1)C1)C1C(N1CCCC1)=O)=O

InChI

InChI=1S/C26H35N5O2/c1-20-14-21(2)31(27-20)13-10-24(32)30-18-26(19-30)17-28(15-22-8-4-3-5-9-22)16-23(26)25(33)29-11-6-7-12-29/h3-5,8-9,14,23H,6-7,10-13,15-19H2,1-2H3/t23-/m1/s1

InChI Key

GDSCEHCLRFMVSP-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD32243412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.187

Distribution Coefficient, logD

-2.943

Water Solubility, LogSw

-1.80

Polar Surface Area

51.251

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

11.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.69

SA96-1356 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA96-1356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA96-1356?
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What is the minimum amount of SA96-1356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA96-1356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA96-1356
  • 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 SA96-1356 available by request