SC46-0506 Screening compound: 1H-indol-3-yl{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]non-2-yl}methanone

SC46-0506 Screening compound: 1H-indol-3-yl{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]non-2-yl}methanone
SC46-0506 Screening compound: 1H-indol-3-yl{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]non-2-yl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC46-0506
1H-indol-3-yl{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]non-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

SC46-0506

Molecular Formula

C22H27N5O (C22 H27 N5 O)

Compound Name

1H-indol-3-yl{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]non-2-yl}methanone

IUPAC name

2-(1H-indole-3-carbonyl)-4-[3-(propan-2-yl)-1H-124-triazol-5-yl]-2-azaspiro[4.4]nonane

SMILES

CC(C)c1n[nH]c(C(C2)C3(CCCC3)CN2C(c2c[nH]c3c2cccc3)=O)n1

InChI

InChI=1S/C22H27N5O/c1-14(2)19-24-20(26-25-19)17-12-27(13-22(17)9-5-6-10-22)21(28)16-11-23-18-8-4-3-7-15(16)18/h3-4,7-8,11,14,17,23H,5-6,9-10,12-13H2,1-2H3,(H,24,25,26)/t17-/m0/s1

InChI Key

CXZWHLVZRFNYPS-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.541

Distribution Coefficient, logD

3.540

Water Solubility, LogSw

-3.72

Polar Surface Area

61.062

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SC46-0506 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC46-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC46-0506?
Check Price and Availability of SC46-0506, 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 SC46-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC46-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC46-0506
  • 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 SC46-0506 available by request