SD02-0253 Screening compound: 3-cyclohexyl-1-{3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2,8-diazaspiro[4.5]dec-8-yl}-1-propanone

SD02-0253 Screening compound: 3-cyclohexyl-1-{3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2,8-diazaspiro[4.5]dec-8-yl}-1-propanone
SD02-0253 Screening compound: 3-cyclohexyl-1-{3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2,8-diazaspiro[4.5]dec-8-yl}-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD02-0253
3-cyclohexyl-1-{3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2,8-diazaspiro[4.5]dec-8-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

SD02-0253

Molecular Formula

C28H45N5O3 (C28 H45 N5 O3)

Compound Name

3-cyclohexyl-1-{3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2,8-diazaspiro[4.5]dec-8-yl}-1-propanone

IUPAC name

3-cyclohexyl-1-{2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-3-[5-(propan-2-yl)-134-oxadiazol-2-yl]-28-diazaspiro[4.5]decan-8-yl}propan-1-one

SMILES

CC(C)c1nnc(C(C2)N(CC(N3CCCC3)=O)CC2(CC2)CCN2C(CCC2CCCCC2)=O)o1

InChI

InChI=1S/C28H45N5O3/c1-21(2)26-29-30-27(36-26)23-18-28(20-33(23)19-25(35)31-14-6-7-15-31)12-16-32(17-13-28)24(34)11-10-22-8-4-3-5-9-22/h21-23H,3-20H2,1-2H3/t23-/m1/s1

InChI Key

MFPWWLNCLBMKRS-HSZRJFAPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

2.577

Water Solubility, LogSw

-3.54

Polar Surface Area

67.446

Acid Dissociation Constant (pKa)

24.49

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

85.71

SD02-0253 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SD02-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD02-0253?
Check Price and Availability of SD02-0253, 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 SD02-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD02-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD02-0253
  • 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 SD02-0253 available by request