SC46-0708 Screening compound: 1-[4-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]propan-1-one

SC46-0708 Screening compound: 1-[4-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]propan-1-one
SC46-0708 Screening compound: 1-[4-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SC46-0708
1-[4-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]propan-1-one

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

SC46-0708

Molecular Formula

C15H24N4O (C15 H24 N4 O)

Compound Name

1-[4-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]non-2-yl]propan-1-one

IUPAC name

1-[4-(3-ethyl-1H-124-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one

SMILES

CCC(N(C1)CC2(CCCC2)C1c1nc(CC)n[nH]1)=O

InChI

InChI=1S/C15H24N4O/c1-3-12-16-14(18-17-12)11-9-19(13(20)4-2)10-15(11)7-5-6-8-15/h11H,3-10H2,1-2H3,(H,16,17,18)/t11-/m0/s1

InChI Key

FCUVEKIGNCEKEA-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.838

Distribution Coefficient, logD

1.836

Water Solubility, LogSw

-2.02

Polar Surface Area

51.926

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

SC46-0708 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with SC46-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC46-0708?
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What is the minimum amount of SC46-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC46-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC46-0708
  • 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 SC46-0708 available by request