SD02-1013 Screening compound: 2-[8-(3-cyclopentenylcarbonyl)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]dec-2-yl]-1-piperidino-1-ethanone

SD02-1013 Screening compound: 2-[8-(3-cyclopentenylcarbonyl)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]dec-2-yl]-1-piperidino-1-ethanone
SD02-1013 Screening compound: 2-[8-(3-cyclopentenylcarbonyl)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]dec-2-yl]-1-piperidino-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD02-1013
2-[8-(3-cyclopentenylcarbonyl)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]dec-2-yl]-1-piperidino-1-ethanone

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

SD02-1013

Molecular Formula

C26H39N5O3 (C26 H39 N5 O3)

Compound Name

2-[8-(3-cyclopentenylcarbonyl)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]dec-2-yl]-1-piperidino-1-ethanone

IUPAC name

2-[8-(cyclopent-3-ene-1-carbonyl)-3-[5-(propan-2-yl)-134-oxadiazol-2-yl]-28-diazaspiro[4.5]decan-2-yl]-1-(piperidin-1-yl)ethan-1-one

SMILES

CC(C)c1nnc(C(C2)N(CC(N3CCCCC3)=O)CC2(CC2)CCN2C(C2CC=CC2)=O)o1

InChI

InChI=1S/C26H39N5O3/c1-19(2)23-27-28-24(34-23)21-16-26(18-31(21)17-22(32)29-12-6-3-7-13-29)10-14-30(15-11-26)25(33)20-8-4-5-9-20/h4-5,19-21H,3,6-18H2,1-2H3/t21-/m1/s1

InChI Key

LNEQNCJNQDXRAQ-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.306

Distribution Coefficient, logD

1.954

Water Solubility, LogSw

-2.23

Polar Surface Area

67.973

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.92

SD02-1013 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD02-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD02-1013?
Check Price and Availability of SD02-1013, 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 SD02-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD02-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD02-1013
  • 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 SD02-1013 available by request