SC97-0873 Screening compound: 10-(3-fluorobenzyl)-2-[(2-hydroxy-4-pyridyl)carbonyl]-2,6,10-triazaspiro[4.6]undecan-7-one

SC97-0873 Screening compound: 10-(3-fluorobenzyl)-2-[(2-hydroxy-4-pyridyl)carbonyl]-2,6,10-triazaspiro[4.6]undecan-7-one
SC97-0873 Screening compound: 10-(3-fluorobenzyl)-2-[(2-hydroxy-4-pyridyl)carbonyl]-2,6,10-triazaspiro[4.6]undecan-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SC97-0873
10-(3-fluorobenzyl)-2-[(2-hydroxy-4-pyridyl)carbonyl]-2,6,10-triazaspiro[4.6]undecan-7-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

SC97-0873

Molecular Formula

C21H23FN4O3 (C21 H23 FN4 O3)

Compound Name

10-(3-fluorobenzyl)-2-[(2-hydroxy-4-pyridyl)carbonyl]-2,6,10-triazaspiro[4.6]undecan-7-one

IUPAC name

10-[(3-fluorophenyl)methyl]-2-(2-hydroxypyridine-4-carbonyl)-2610-triazaspiro[4.6]undecan-7-one

SMILES

Oc1nccc(C(N(CC2)CC2(CN(Cc2cccc(F)c2)CC2)NC2=O)=O)c1

InChI

InChI=1S/C21H23FN4O3/c22-17-3-1-2-15(10-17)12-25-8-5-18(27)24-21(13-25)6-9-26(14-21)20(29)16-4-7-23-19(28)11-16/h1-4,7,10-11H,5-6,8-9,12-14H2,(H,23,28)(H,24,27)/t21-/m1/s1

InChI Key

VTLVMBGCJNXUQC-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.613

Distribution Coefficient, logD

-0.455

Water Solubility, LogSw

-1.75

Polar Surface Area

72.759

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

8.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

SC97-0873 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 SC97-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC97-0873?
Check Price and Availability of SC97-0873, 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 SC97-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC97-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC97-0873
  • 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 SC97-0873 available by request