G698-0047 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-diene

G698-0047 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-1,4-diazaspiro[4.5]deca-1,3-diene
G698-0047 Screening compound: 2-{[(2-chloro-4-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 G698-0047
2-{[(2-chloro-4-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

G698-0047

Molecular Formula

C19H18ClFN2S2 (C19 H18 ClFN2 S2)

Compound Name

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

IUPAC name

2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(thiophen-2-yl)-14-diazaspiro[4.5]deca-13-diene

SMILES

Fc1cc(Cl)c(CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1

InChI

InChI=1S/C19H18ClFN2S2/c20-15-11-14(21)7-6-13(15)12-25-18-17(16-5-4-10-24-16)22-19(23-18)8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12H2

InChI Key

JHWOPCWQUMMHSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.95

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

5.767

Distribution Coefficient, logD

5.767

Water Solubility, LogSw

-6.16

Polar Surface Area

18.099

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

G698-0047 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 G698-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G698-0047?
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What is the minimum amount of G698-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G698-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G698-0047
  • 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 G698-0047 available by request