SD25-0380 Screening compound: 3-[2-(1-isoquinolylcarbonyl)-2-azaspiro[4.5]dec-4-yl]-1-(1-pyrrolidinyl)-1-propanone

SD25-0380 Screening compound: 3-[2-(1-isoquinolylcarbonyl)-2-azaspiro[4.5]dec-4-yl]-1-(1-pyrrolidinyl)-1-propanone
SD25-0380 Screening compound: 3-[2-(1-isoquinolylcarbonyl)-2-azaspiro[4.5]dec-4-yl]-1-(1-pyrrolidinyl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD25-0380
3-[2-(1-isoquinolylcarbonyl)-2-azaspiro[4.5]dec-4-yl]-1-(1-pyrrolidinyl)-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

SD25-0380

Molecular Formula

C26H33N3O2 (C26 H33 N3 O2)

Compound Name

3-[2-(1-isoquinolylcarbonyl)-2-azaspiro[4.5]dec-4-yl]-1-(1-pyrrolidinyl)-1-propanone

IUPAC name

3-[2-(isoquinoline-1-carbonyl)-2-azaspiro[4.5]decan-4-yl]-1-(pyrrolidin-1-yl)propan-1-one

SMILES

O=C(CCC(CN(C1)C(c2nccc3ccccc23)=O)C11CCCCC1)N1CCCC1

InChI

InChI=1S/C26H33N3O2/c30-23(28-16-6-7-17-28)11-10-21-18-29(19-26(21)13-4-1-5-14-26)25(31)24-22-9-3-2-8-20(22)12-15-27-24/h2-3,8-9,12,15,21H,1,4-7,10-11,13-14,16-19H2/t21-/m1/s1

InChI Key

AXCPXVKBMOGGRB-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD32260214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.57

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

3.565

Distribution Coefficient, logD

3.565

Water Solubility, LogSw

-3.28

Polar Surface Area

43.074

Acid Dissociation Constant (pKa)

24.79

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.69

SD25-0380 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with SD25-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD25-0380?
Check Price and Availability of SD25-0380, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SD25-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD25-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD25-0380
  • 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 SD25-0380 available by request