SC68-0136 Screening compound: 2-(4-chlorophenyl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-ethanone

SC68-0136 Screening compound: 2-(4-chlorophenyl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-ethanone
SC68-0136 Screening compound: 2-(4-chlorophenyl)-1-[4-(4-ethyl-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 SC68-0136
2-(4-chlorophenyl)-1-[4-(4-ethyl-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

SC68-0136

Molecular Formula

C21H27ClN4O (C21 H27 ClN4 O)

Compound Name

2-(4-chlorophenyl)-1-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-1-ethanone

IUPAC name

2-(4-chlorophenyl)-1-[4-(4-ethyl-4H-124-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]ethan-1-one

SMILES

CCn1c(C(CN(C2)C(Cc(cc3)ccc3Cl)=O)C22CCCCC2)nnc1

InChI

InChI=1S/C21H27ClN4O/c1-2-25-15-23-24-20(25)18-13-26(14-21(18)10-4-3-5-11-21)19(27)12-16-6-8-17(22)9-7-16/h6-9,15,18H,2-5,10-14H2,1H3/t18-/m0/s1

InChI Key

KRHGMGOXLXTISS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32258690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.125

Distribution Coefficient, logD

3.125

Water Solubility, LogSw

-3.44

Polar Surface Area

40.594

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

References: we are preparing a list of scientific research reports with SC68-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-0136?
Check Price and Availability of SC68-0136, 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 SC68-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-0136
  • 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 SC68-0136 available by request