SC68-1188 Screening compound: [4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl](2-thienyl)methanone

SC68-1188 Screening compound: [4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl](2-thienyl)methanone
SC68-1188 Screening compound: [4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl](2-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-1188
[4-(4-benzyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl](2-thienyl)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

SC68-1188

Molecular Formula

C23H26N4OS (C23 H26 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccs1)N(C1)CC2(CCCCC2)C1c1nncn1Cc1ccccc1

InChI

InChI=1S/C23H26N4OS/c28-22(20-10-7-13-29-20)26-15-19(23(16-26)11-5-2-6-12-23)21-25-24-17-27(21)14-18-8-3-1-4-9-18/h1,3-4,7-10,13,17,19H,2,5-6,11-12,14-16H2/t19-/m0/s1

InChI Key

OFNASCLOERLHGY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32259426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.55

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

3.580

Distribution Coefficient, logD

3.580

Water Solubility, LogSw

-3.58

Polar Surface Area

42.143

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

SC68-1188 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC68-1188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-1188?
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What is the minimum amount of SC68-1188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-1188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-1188
  • 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 SC68-1188 available by request