SC68-1196 Screening compound: [4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl](3,4-difluorophenyl)methanone

SC68-1196 Screening compound: [4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl](3,4-difluorophenyl)methanone
SC68-1196 Screening compound: [4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl](3,4-difluorophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-1196
[4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl](3,4-difluorophenyl)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

SC68-1196

Molecular Formula

C25H26F2N4O (C25 H26 F2 N4 O)

Compound Name

[4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl](3,4-difluorophenyl)methanone

IUPAC name

4-(4-benzyl-4H-124-triazol-3-yl)-2-(34-difluorobenzoyl)-2-azaspiro[4.5]decane

SMILES

O=C(c(cc1)cc(F)c1F)N(C1)CC2(CCCCC2)C1c1nncn1Cc1ccccc1

InChI

InChI=1S/C25H26F2N4O/c26-21-10-9-19(13-22(21)27)24(32)30-15-20(25(16-30)11-5-2-6-12-25)23-29-28-17-31(23)14-18-7-3-1-4-8-18/h1,3-4,7-10,13,17,20H,2,5-6,11-12,14-16H2/t20-/m0/s1

InChI Key

VTJHXGNQXRIFKV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32259431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.5

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

3.736

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-4.08

Polar Surface Area

41.125

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

SC68-1196 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 SC68-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-1196?
Check Price and Availability of SC68-1196, 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 SC68-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-1196
  • 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 SC68-1196 available by request