SC55-1062 Screening compound: [6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](2-methyl-4-pyridyl)methanone

SC55-1062 Screening compound: [6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](2-methyl-4-pyridyl)methanone
SC55-1062 Screening compound: [6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](2-methyl-4-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC55-1062
[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](2-methyl-4-pyridyl)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

SC55-1062

Molecular Formula

C25H28N6O (C25 H28 N6 O)

Compound Name

[6-benzyl-8-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](2-methyl-4-pyridyl)methanone

IUPAC name

6-benzyl-8-(3-cyclopropyl-1H-124-triazol-5-yl)-2-(2-methylpyridine-4-carbonyl)-26-diazaspiro[3.4]octane

SMILES

Cc1nccc(C(N(C2)CC2(CN(Cc2ccccc2)C2)C2c2nc(C3CC3)n[nH]2)=O)c1

InChI

InChI=1S/C25H28N6O/c1-17-11-20(9-10-26-17)24(32)31-15-25(16-31)14-30(12-18-5-3-2-4-6-18)13-21(25)23-27-22(28-29-23)19-7-8-19/h2-6,9-11,19,21H,7-8,12-16H2,1H3,(H,27,28,29)/t21-/m1/s1

InChI Key

HSRHAHWGCAKNLI-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD32258063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.332

Distribution Coefficient, logD

-1.852

Water Solubility, LogSw

-2.72

Polar Surface Area

63.669

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

11.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

SC55-1062 in Drug Discovery

Included in Screening Libraries

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 SC55-1062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC55-1062?
Check Price and Availability of SC55-1062, 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 SC55-1062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC55-1062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC55-1062
  • 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 SC55-1062 available by request