SC68-0195 Screening compound: 1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone

SC68-0195 Screening compound: 1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
SC68-0195 Screening compound: 1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-0195
1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-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

SC68-0195

Molecular Formula

C22H34N6O (C22 H34 N6 O)

Compound Name

1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone

IUPAC name

1-[4-(4-ethyl-4H-124-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]-3-(135-trimethyl-1H-pyrazol-4-yl)propan-1-one

SMILES

CCn1c(C(CN(C2)C(CCc3c(C)n(C)nc3C)=O)C22CCCCC2)nnc1

InChI

InChI=1S/C22H34N6O/c1-5-27-15-23-24-21(27)19-13-28(14-22(19)11-7-6-8-12-22)20(29)10-9-18-16(2)25-26(4)17(18)3/h15,19H,5-14H2,1-4H3/t19-/m0/s1

InChI Key

WUNUOEBHQQEBKI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32259052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.149

Distribution Coefficient, logD

1.148

Water Solubility, LogSw

-1.13

Polar Surface Area

55.433

Acid Dissociation Constant (pKa)

21.70

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.73

SC68-0195 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 SC68-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-0195?
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What is the minimum amount of SC68-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-0195
  • 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 SC68-0195 available by request