SC80-0524 Screening compound: (4S,5R)-N-ethyl-7-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-2-(phenylcarbonyl)-2,7-diazaspiro[4.4]nonane-4-carboxamide

SC80-0524 Screening compound: (4S,5R)-N-ethyl-7-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-2-(phenylcarbonyl)-2,7-diazaspiro[4.4]nonane-4-carboxamide
SC80-0524 Screening compound: (4S,5R)-N-ethyl-7-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-2-(phenylcarbonyl)-2,7-diazaspiro[4.4]nonane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC80-0524
(4S,5R)-N-ethyl-7-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-2-(phenylcarbonyl)-2,7-diazaspiro[4.4]nonane-4-carboxamide

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

SC80-0524

Molecular Formula

C26H37N5O2 (C26 H37 N5 O2)

Compound Name

(4S,5R)-N-ethyl-7-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-2-(phenylcarbonyl)-2,7-diazaspiro[4.4]nonane-4-carboxamide

IUPAC name

(4S5R)-2-benzoyl-N-ethyl-7-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]-27-diazaspiro[4.4]nonane-4-carboxamide

SMILES

CCCn1nc(C)cc1CN(CC)C([C@@H](C1)[C@@]2(CN(C)CC2)CN1C(c1ccccc1)=O)=O

InChI

InChI=1S/C26H37N5O2/c1-5-13-31-22(15-20(3)27-31)16-29(6-2)25(33)23-17-30(19-26(23)12-14-28(4)18-26)24(32)21-10-8-7-9-11-21/h7-11,15,23H,5-6,12-14,16-19H2,1-4H3/t23-,26-/m0/s1

InChI Key

BTXGDVRKFUYXBT-OZXSUGGESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.637

Distribution Coefficient, logD

-2.951

Water Solubility, LogSw

-2.13

Polar Surface Area

50.248

Acid Dissociation Constant (pKa)

25.58

Base Dissociation Constant (pKb)

11.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.69

SC80-0524 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 SC80-0524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC80-0524?
Check Price and Availability of SC80-0524, 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 SC80-0524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC80-0524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC80-0524
  • 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 SC80-0524 available by request