SC97-0889 Screening compound: 10-(3-fluorobenzyl)-2-[2-(4-fluorophenoxy)acetyl]-2,6,10-triazaspiro[4.6]undecan-7-one

SC97-0889 Screening compound: 10-(3-fluorobenzyl)-2-[2-(4-fluorophenoxy)acetyl]-2,6,10-triazaspiro[4.6]undecan-7-one
SC97-0889 Screening compound: 10-(3-fluorobenzyl)-2-[2-(4-fluorophenoxy)acetyl]-2,6,10-triazaspiro[4.6]undecan-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SC97-0889
10-(3-fluorobenzyl)-2-[2-(4-fluorophenoxy)acetyl]-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

SC97-0889

Molecular Formula

C23H25F2N3O3 (C23 H25 F2 N3 O3)

Compound Name

10-(3-fluorobenzyl)-2-[2-(4-fluorophenoxy)acetyl]-2,6,10-triazaspiro[4.6]undecan-7-one

IUPAC name

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

SMILES

O=C(COc(cc1)ccc1F)N(CC1)CC1(CN(Cc1cccc(F)c1)CC1)NC1=O

InChI

InChI=1S/C23H25F2N3O3/c24-18-4-6-20(7-5-18)31-14-22(30)28-11-9-23(16-28)15-27(10-8-21(29)26-23)13-17-2-1-3-19(25)12-17/h1-7,12H,8-11,13-16H2,(H,26,29)/t23-/m1/s1

InChI Key

GNCWPZVKXSVRGU-HSZRJFAPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.957

Distribution Coefficient, logD

0.836

Water Solubility, LogSw

-2.62

Polar Surface Area

53.424

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

SC97-0889 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 SC97-0889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC97-0889?
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What is the minimum amount of SC97-0889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC97-0889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC97-0889
  • 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 SC97-0889 available by request