G946-0242 Screening compound: 10-ethyl-7-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0242 Screening compound: 10-ethyl-7-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0242 Screening compound: 10-ethyl-7-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0242
10-ethyl-7-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-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

G946-0242

Molecular Formula

C26H21N3O2S (C26 H21 N3 O2 S)

Compound Name

10-ethyl-7-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

9-ethyl-5-[5-(1-phenylcyclopropyl)-124-oxadiazol-3-yl]-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-one

SMILES

CCN(c(ccc(-c1noc(C2(CC2)c2ccccc2)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C26H21N3O2S/c1-2-29-20-13-12-17(16-22(20)32-21-11-7-6-10-19(21)24(29)30)23-27-25(31-28-23)26(14-15-26)18-8-4-3-5-9-18/h3-13,16H,2,14-15H2,1H3

InChI Key

WJYITROJAJTGIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.226

Distribution Coefficient, logD

6.226

Water Solubility, LogSw

-5.50

Polar Surface Area

47.054

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

G946-0242 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0242?
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What is the minimum amount of G946-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0242
  • 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 G946-0242 available by request