SC68-2083 Screening compound: 1-[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-3-piperidino-1-propanone

SC68-2083 Screening compound: 1-[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-3-piperidino-1-propanone
SC68-2083 Screening compound: 1-[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-3-piperidino-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-2083
1-[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-3-piperidino-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

SC68-2083

Molecular Formula

C23H39N5O (C23 H39 N5 O)

Compound Name

1-[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-3-piperidino-1-propanone

IUPAC name

1-{4-[4-(2-methylpropyl)-4H-124-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl}-3-(piperidin-1-yl)propan-1-one

SMILES

CC(C)Cn1c(C(CN(C2)C(CCN3CCCCC3)=O)C22CCCCC2)nnc1

InChI

InChI=1S/C23H39N5O/c1-19(2)15-28-18-24-25-22(28)20-16-27(17-23(20)10-5-3-6-11-23)21(29)9-14-26-12-7-4-8-13-26/h18-20H,3-17H2,1-2H3/t20-/m0/s1

InChI Key

AILPSKDEHUBKGE-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.499

Distribution Coefficient, logD

0.644

Water Solubility, LogSw

-2.21

Polar Surface Area

44.852

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

9.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

86.96

SC68-2083 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC68-2083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-2083?
Check Price and Availability of SC68-2083, 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 SC68-2083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-2083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-2083
  • 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 SC68-2083 available by request