G946-0296 Screening compound: 10-ethyl-7-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0296 Screening compound: 10-ethyl-7-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0296 Screening compound: 10-ethyl-7-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0296
10-ethyl-7-[5-(1-methyl-1H-pyrazol-5-yl)-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

G946-0296

Molecular Formula

C21H17N5O2S (C21 H17 N5 O2 S)

Compound Name

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

IUPAC name

9-ethyl-5-[5-(1-methyl-1H-pyrazol-5-yl)-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(-c2ccnn2C)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C21H17N5O2S/c1-3-26-15-9-8-13(19-23-20(28-24-19)16-10-11-22-25(16)2)12-18(15)29-17-7-5-4-6-14(17)21(26)27/h4-12H,3H2,1-2H3

InChI Key

HGIUQURXJLNYPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.35

Polar Surface Area

60.453

Acid Dissociation Constant (pKa)

28.28

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G946-0296 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0296?
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What is the minimum amount of G946-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0296
  • 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 G946-0296 available by request