SC68-0001 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-ethanone

SC68-0001 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-ethanone
SC68-0001 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-0001
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-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

SC68-0001

Molecular Formula

C19H28N6O (C19 H28 N6 O)

Compound Name

2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-ethanone

IUPAC name

2-(35-dimethyl-1H-pyrazol-1-yl)-1-[4-(4-methyl-4H-124-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]ethan-1-one

SMILES

Cc1cc(C)nn1CC(N(C1)CC2(CCCCC2)C1c1nncn1C)=O

InChI

InChI=1S/C19H28N6O/c1-14-9-15(2)25(22-14)11-17(26)24-10-16(18-21-20-13-23(18)3)19(12-24)7-5-4-6-8-19/h9,13,16H,4-8,10-12H2,1-3H3/t16-/m0/s1

InChI Key

SWLHXWBDXUIOMZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32259161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.386

Distribution Coefficient, logD

0.385

Water Solubility, LogSw

-0.95

Polar Surface Area

55.432

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

SC68-0001 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC68-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-0001?
Check Price and Availability of SC68-0001, 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 SC68-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-0001
  • 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 SC68-0001 available by request