SA96-1292 Screening compound: [6-benzyl-2-(2-thienylcarbonyl)-2,6-diazaspiro[3.4]oct-8-yl](1-pyrrolidinyl)methanone

SA96-1292 Screening compound: [6-benzyl-2-(2-thienylcarbonyl)-2,6-diazaspiro[3.4]oct-8-yl](1-pyrrolidinyl)methanone
SA96-1292 Screening compound: [6-benzyl-2-(2-thienylcarbonyl)-2,6-diazaspiro[3.4]oct-8-yl](1-pyrrolidinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SA96-1292
[6-benzyl-2-(2-thienylcarbonyl)-2,6-diazaspiro[3.4]oct-8-yl](1-pyrrolidinyl)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

SA96-1292

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

[6-benzyl-2-(2-thienylcarbonyl)-2,6-diazaspiro[3.4]oct-8-yl](1-pyrrolidinyl)methanone

IUPAC name

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

SMILES

O=C(C1C(C2)(CN2C(c2cccs2)=O)CN(Cc2ccccc2)C1)N1CCCC1

InChI

InChI=1S/C23H27N3O2S/c27-21(25-10-4-5-11-25)19-14-24(13-18-7-2-1-3-8-18)15-23(19)16-26(17-23)22(28)20-9-6-12-29-20/h1-3,6-9,12,19H,4-5,10-11,13-17H2/t19-/m1/s1

InChI Key

KBJZXKMWRUBQSB-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32244854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.697

Distribution Coefficient, logD

-1.317

Water Solubility, LogSw

-2.76

Polar Surface Area

38.811

Acid Dissociation Constant (pKa)

25.64

Base Dissociation Constant (pKb)

11.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.83

SA96-1292 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 SA96-1292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA96-1292?
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What is the minimum amount of SA96-1292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA96-1292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA96-1292
  • 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 SA96-1292 available by request