SC97-0868 Screening compound: 2-(cyclopentylcarbonyl)-10-(3-fluorobenzyl)-2,6,10-triazaspiro[4.6]undecan-7-one

SC97-0868 Screening compound: 2-(cyclopentylcarbonyl)-10-(3-fluorobenzyl)-2,6,10-triazaspiro[4.6]undecan-7-one
SC97-0868 Screening compound: 2-(cyclopentylcarbonyl)-10-(3-fluorobenzyl)-2,6,10-triazaspiro[4.6]undecan-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SC97-0868
2-(cyclopentylcarbonyl)-10-(3-fluorobenzyl)-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

SC97-0868

Molecular Formula

C21H28FN3O2 (C21 H28 FN3 O2)

Compound Name

2-(cyclopentylcarbonyl)-10-(3-fluorobenzyl)-2,6,10-triazaspiro[4.6]undecan-7-one

IUPAC name

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

SMILES

O=C(C1CCCC1)N(CC1)CC1(CN(Cc1cccc(F)c1)CC1)NC1=O

InChI

InChI=1S/C21H28FN3O2/c22-18-7-3-4-16(12-18)13-24-10-8-19(26)23-21(14-24)9-11-25(15-21)20(27)17-5-1-2-6-17/h3-4,7,12,17H,1-2,5-6,8-11,13-15H2,(H,23,26)/t21-/m1/s1

InChI Key

LBHLMOAJKSJIIE-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.319

Distribution Coefficient, logD

1.198

Water Solubility, LogSw

-2.86

Polar Surface Area

47.010

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SC97-0868 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 SC97-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC97-0868?
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What is the minimum amount of SC97-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC97-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC97-0868
  • 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 SC97-0868 available by request