SC69-0705 Screening compound: 4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-[(4-fluorobenzyl)sulfonyl]-2-azaspiro[4.4]nonane

SC69-0705 Screening compound: 4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-[(4-fluorobenzyl)sulfonyl]-2-azaspiro[4.4]nonane
SC69-0705 Screening compound: 4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-[(4-fluorobenzyl)sulfonyl]-2-azaspiro[4.4]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC69-0705
4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-[(4-fluorobenzyl)sulfonyl]-2-azaspiro[4.4]nonane

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

SC69-0705

Molecular Formula

C19H25FN4O2S (C19 H25 FN4 O2 S)

Compound Name

4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-[(4-fluorobenzyl)sulfonyl]-2-azaspiro[4.4]nonane

IUPAC name

4-(4-ethyl-4H-124-triazol-3-yl)-2-[(4-fluorophenyl)methanesulfonyl]-2-azaspiro[4.4]nonane

SMILES

CCn1c(C(C2)C3(CCCC3)CN2S(Cc(cc2)ccc2F)(=O)=O)nnc1

InChI

InChI=1S/C19H25FN4O2S/c1-2-23-14-21-22-18(23)17-11-24(13-19(17)9-3-4-10-19)27(25,26)12-15-5-7-16(20)8-6-15/h5-8,14,17H,2-4,9-13H2,1H3/t17-/m0/s1

InChI Key

RMDCIKVQOUMQGE-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.606

Distribution Coefficient, logD

1.606

Water Solubility, LogSw

-2.31

Polar Surface Area

56.444

Acid Dissociation Constant (pKa)

20.14

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SC69-0705 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 SC69-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC69-0705?
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What is the minimum amount of SC69-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC69-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC69-0705
  • 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 SC69-0705 available by request