SD25-0495 Screening compound: 3-(1H-1,3-benzimidazol-2-yl)-1-{4-[3-oxo-3-(1-pyrrolidinyl)propyl]-2-azaspiro[4.5]dec-2-yl}-1-propanone

SD25-0495 Screening compound: 3-(1H-1,3-benzimidazol-2-yl)-1-{4-[3-oxo-3-(1-pyrrolidinyl)propyl]-2-azaspiro[4.5]dec-2-yl}-1-propanone
SD25-0495 Screening compound: 3-(1H-1,3-benzimidazol-2-yl)-1-{4-[3-oxo-3-(1-pyrrolidinyl)propyl]-2-azaspiro[4.5]dec-2-yl}-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD25-0495
3-(1H-1,3-benzimidazol-2-yl)-1-{4-[3-oxo-3-(1-pyrrolidinyl)propyl]-2-azaspiro[4.5]dec-2-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

SD25-0495

Molecular Formula

C26H36N4O2 (C26 H36 N4 O2)

Compound Name

3-(1H-1,3-benzimidazol-2-yl)-1-{4-[3-oxo-3-(1-pyrrolidinyl)propyl]-2-azaspiro[4.5]dec-2-yl}-1-propanone

IUPAC name

3-(1H-13-benzodiazol-2-yl)-1-{4-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2-azaspiro[4.5]decan-2-yl}propan-1-one

SMILES

O=C(CCC(CN(C1)C(CCc2nc(cccc3)c3[nH]2)=O)C11CCCCC1)N1CCCC1

InChI

InChI=1S/C26H36N4O2/c31-24(29-16-6-7-17-29)12-10-20-18-30(19-26(20)14-4-1-5-15-26)25(32)13-11-23-27-21-8-2-3-9-22(21)28-23/h2-3,8-9,20H,1,4-7,10-19H2,(H,27,28)/t20-/m1/s1

InChI Key

VCYAUOXVORGNIH-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32261079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.396

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-3.45

Polar Surface Area

53.281

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.39

SD25-0495 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SD25-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD25-0495?
Check Price and Availability of SD25-0495, 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 SD25-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD25-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD25-0495
  • 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 SD25-0495 available by request