SC68-1200 Screening compound: 1-[4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-4-phenyl-1-butanone

SC68-1200 Screening compound: 1-[4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-4-phenyl-1-butanone
SC68-1200 Screening compound: 1-[4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-4-phenyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-1200
1-[4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]-4-phenyl-1-butanone

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

SC68-1200

Molecular Formula

C28H34N4O (C28 H34 N4 O)

Compound Name

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

IUPAC name

1-[4-(4-benzyl-4H-124-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]-4-phenylbutan-1-one

SMILES

O=C(CCCc1ccccc1)N(C1)CC2(CCCCC2)C1c1nncn1Cc1ccccc1

InChI

InChI=1S/C28H34N4O/c33-26(16-10-15-23-11-4-1-5-12-23)31-20-25(28(21-31)17-8-3-9-18-28)27-30-29-22-32(27)19-24-13-6-2-7-14-24/h1-2,4-7,11-14,22,25H,3,8-10,15-21H2/t25-/m0/s1

InChI Key

YEBNMLXIBPEUJN-VWLOTQADSA-N

MDL Number (MFCD)

MFCD32259544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.644

Distribution Coefficient, logD

4.644

Water Solubility, LogSw

-4.67

Polar Surface Area

40.597

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.43

SC68-1200 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with SC68-1200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-1200?
Check Price and Availability of SC68-1200, 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 SC68-1200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-1200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-1200
  • 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 SC68-1200 available by request