SC68-1962 Screening compound: (3-chloro-4-fluorophenyl)[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methanone

SC68-1962 Screening compound: (3-chloro-4-fluorophenyl)[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methanone
SC68-1962 Screening compound: (3-chloro-4-fluorophenyl)[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-1962
(3-chloro-4-fluorophenyl)[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methanone

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

SC68-1962

Molecular Formula

C22H28ClFN4O (C22 H28 ClFN4 O)

Compound Name

(3-chloro-4-fluorophenyl)[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methanone

IUPAC name

2-(3-chloro-4-fluorobenzoyl)-4-[4-(2-methylpropyl)-4H-124-triazol-3-yl]-2-azaspiro[4.5]decane

SMILES

CC(C)Cn1c(C(CN(C2)C(c(cc3)cc(Cl)c3F)=O)C22CCCCC2)nnc1

InChI

InChI=1S/C22H28ClFN4O/c1-15(2)11-28-14-25-26-20(28)17-12-27(13-22(17)8-4-3-5-9-22)21(29)16-6-7-19(24)18(23)10-16/h6-7,10,14-15,17H,3-5,8-9,11-13H2,1-2H3/t17-/m0/s1

InChI Key

XJRXJNAAECUDKN-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.94

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

3.641

Distribution Coefficient, logD

3.641

Water Solubility, LogSw

-4.10

Polar Surface Area

41.396

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

SC68-1962 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with SC68-1962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-1962?
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What is the minimum amount of SC68-1962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-1962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-1962
  • 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 SC68-1962 available by request