G698-0027 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-diene

G698-0027 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-diene
G698-0027 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-diene alternative view

Chemical Structure Depiction of ChemDiv screening compound G698-0027
2-{[(2-fluorophenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-diene

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

G698-0027

Molecular Formula

C19H19FN2S2 (C19 H19 FN2 S2)

Compound Name

2-{[(2-fluorophenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-diene

IUPAC name

2-{[(2-fluorophenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-14-diazaspiro[4.5]deca-13-diene

SMILES

Fc1c(CSC2=NC3(CCCCC3)N=C2c2cccs2)cccc1

InChI

InChI=1S/C19H19FN2S2/c20-15-8-3-2-7-14(15)13-24-18-17(16-9-6-12-23-16)21-19(22-18)10-4-1-5-11-19/h2-3,6-9,12H,1,4-5,10-11,13H2

InChI Key

XKXSVJFSWKEMQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.154

Distribution Coefficient, logD

5.154

Water Solubility, LogSw

-5.30

Polar Surface Area

18.099

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

G698-0027 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G698-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G698-0027?
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What is the minimum amount of G698-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G698-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G698-0027
  • 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 G698-0027 available by request