G022-0070 Screening compound: 2-(methylsulfanyl)-3-phenyl-8-phenylmethanesulfonyl-1,4,8-triazaspiro[4.5]deca-1,3-diene

G022-0070 Screening compound: 2-(methylsulfanyl)-3-phenyl-8-phenylmethanesulfonyl-1,4,8-triazaspiro[4.5]deca-1,3-diene
G022-0070 Screening compound: 2-(methylsulfanyl)-3-phenyl-8-phenylmethanesulfonyl-1,4,8-triazaspiro[4.5]deca-1,3-diene alternative view

Chemical Structure Depiction of ChemDiv screening compound G022-0070
2-(methylsulfanyl)-3-phenyl-8-phenylmethanesulfonyl-1,4,8-triazaspiro[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

G022-0070

Molecular Formula

C21H23N3O2S2 (C21 H23 N3 O2 S2)

Compound Name

2-(methylsulfanyl)-3-phenyl-8-phenylmethanesulfonyl-1,4,8-triazaspiro[4.5]deca-1,3-diene

IUPAC name

2-(methylsulfanyl)-3-phenyl-8-phenylmethanesulfonyl-148-triazaspiro[4.5]deca-13-diene

SMILES

CSC1=NC(CC2)(CCN2S(Cc2ccccc2)(=O)=O)N=C1c1ccccc1

InChI

InChI=1S/C21H23N3O2S2/c1-27-20-19(18-10-6-3-7-11-18)22-21(23-20)12-14-24(15-13-21)28(25,26)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3

InChI Key

ACJDCPUUCHDKAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.992

Distribution Coefficient, logD

2.992

Water Solubility, LogSw

-3.29

Polar Surface Area

48.766

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

G022-0070 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G022-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G022-0070?
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What is the minimum amount of G022-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G022-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G022-0070
  • 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 G022-0070 available by request