SA96-1307 Screening compound: [6-benzyl-8-(1-pyrrolidinylcarbonyl)-2,6-diazaspiro[3.4]oct-2-yl](4-methoxy-2-methylphenyl)methanone

SA96-1307 Screening compound: [6-benzyl-8-(1-pyrrolidinylcarbonyl)-2,6-diazaspiro[3.4]oct-2-yl](4-methoxy-2-methylphenyl)methanone
SA96-1307 Screening compound: [6-benzyl-8-(1-pyrrolidinylcarbonyl)-2,6-diazaspiro[3.4]oct-2-yl](4-methoxy-2-methylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA96-1307
[6-benzyl-8-(1-pyrrolidinylcarbonyl)-2,6-diazaspiro[3.4]oct-2-yl](4-methoxy-2-methylphenyl)methanone

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

SA96-1307

Molecular Formula

C27H33N3O3 (C27 H33 N3 O3)

Compound Name

[6-benzyl-8-(1-pyrrolidinylcarbonyl)-2,6-diazaspiro[3.4]oct-2-yl](4-methoxy-2-methylphenyl)methanone

IUPAC name

6-benzyl-2-(4-methoxy-2-methylbenzoyl)-8-(pyrrolidine-1-carbonyl)-26-diazaspiro[3.4]octane

SMILES

Cc(cc(cc1)OC)c1C(N(C1)CC1(CN(Cc1ccccc1)C1)C1C(N1CCCC1)=O)=O

InChI

InChI=1S/C27H33N3O3/c1-20-14-22(33-2)10-11-23(20)25(31)30-18-27(19-30)17-28(15-21-8-4-3-5-9-21)16-24(27)26(32)29-12-6-7-13-29/h3-5,8-11,14,24H,6-7,12-13,15-19H2,1-2H3/t24-/m1/s1

InChI Key

YNAVALWCBLZBKY-XMMPIXPASA-N

MDL Number (MFCD)

MFCD32244975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.132

Distribution Coefficient, logD

-0.882

Water Solubility, LogSw

-3.22

Polar Surface Area

45.337

Acid Dissociation Constant (pKa)

25.64

Base Dissociation Constant (pKb)

11.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.15

SA96-1307 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA96-1307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA96-1307?
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What is the minimum amount of SA96-1307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA96-1307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA96-1307
  • 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 SA96-1307 available by request