SC55-0525 Screening compound: [6-benzyl-8-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](3-fluoro-4-pyridyl)methanone

SC55-0525 Screening compound: [6-benzyl-8-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](3-fluoro-4-pyridyl)methanone
SC55-0525 Screening compound: [6-benzyl-8-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](3-fluoro-4-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC55-0525
[6-benzyl-8-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl](3-fluoro-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

SC55-0525

Molecular Formula

C24H27FN6O (C24 H27 FN6 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1n[nH]c(C2C(C3)(CN3C(c(ccnc3)c3F)=O)CN(Cc3ccccc3)C2)n1

InChI

InChI=1S/C24H27FN6O/c1-16(2)21-27-22(29-28-21)19-12-30(11-17-6-4-3-5-7-17)13-24(19)14-31(15-24)23(32)18-8-9-26-10-20(18)25/h3-10,16,19H,11-15H2,1-2H3,(H,27,28,29)/t19-/m1/s1

InChI Key

NPBNIUXIVDYEAR-LJQANCHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

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

2.608

Distribution Coefficient, logD

-1.577

Water Solubility, LogSw

-2.82

Polar Surface Area

64.081

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

11.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

SC55-0525 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC55-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC55-0525?
Check Price and Availability of SC55-0525, 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 SC55-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC55-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC55-0525
  • 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 SC55-0525 available by request