SC97-0886 Screening compound: 10-(3-fluorobenzyl)-2-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2,6,10-triazaspiro[4.6]undecan-7-one

SC97-0886 Screening compound: 10-(3-fluorobenzyl)-2-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2,6,10-triazaspiro[4.6]undecan-7-one
SC97-0886 Screening compound: 10-(3-fluorobenzyl)-2-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2,6,10-triazaspiro[4.6]undecan-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SC97-0886
10-(3-fluorobenzyl)-2-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-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

SC97-0886

Molecular Formula

C19H24FN5O3S (C19 H24 FN5 O3 S)

Compound Name

10-(3-fluorobenzyl)-2-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2,6,10-triazaspiro[4.6]undecan-7-one

IUPAC name

10-[(3-fluorophenyl)methyl]-2-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2610-triazaspiro[4.6]undecan-7-one

SMILES

Cn1cnc(S(N(CC2)CC2(CN(Cc2cc(F)ccc2)CC2)NC2=O)(=O)=O)c1

InChI

InChI=1S/C19H24FN5O3S/c1-23-11-18(21-14-23)29(27,28)25-8-6-19(13-25)12-24(7-5-17(26)22-19)10-15-3-2-4-16(20)9-15/h2-4,9,11,14H,5-8,10,12-13H2,1H3,(H,22,26)/t19-/m1/s1

InChI Key

YCNQIXYHANCZQP-LJQANCHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.483

Distribution Coefficient, logD

0.078

Water Solubility, LogSw

-2.46

Polar Surface Area

73.926

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

SC97-0886 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC97-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC97-0886?
Check Price and Availability of SC97-0886, 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 SC97-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC97-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC97-0886
  • 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 SC97-0886 available by request