G946-0285 Screening compound: 10-ethyl-7-{5-[(E)-2-phenyl-1-ethenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0285 Screening compound: 10-ethyl-7-{5-[(E)-2-phenyl-1-ethenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0285 Screening compound: 10-ethyl-7-{5-[(E)-2-phenyl-1-ethenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0285
10-ethyl-7-{5-[(E)-2-phenyl-1-ethenyl]-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

G946-0285

Molecular Formula

C25H19N3O2S (C25 H19 N3 O2 S)

Compound Name

10-ethyl-7-{5-[(E)-2-phenyl-1-ethenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

9-ethyl-5-{5-[(1E)-2-phenylethenyl]-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(/C=C/c2ccccc2)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C25H19N3O2S/c1-2-28-20-14-13-18(16-22(20)31-21-11-7-6-10-19(21)25(28)29)24-26-23(30-27-24)15-12-17-8-4-3-5-9-17/h3-16H,2H2,1H3

InChI Key

HXRXPLWUCVVEEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

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

6.852

Distribution Coefficient, logD

6.852

Water Solubility, LogSw

-5.65

Polar Surface Area

46.468

Acid Dissociation Constant (pKa)

28.28

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

G946-0285 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G946-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0285?
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What is the minimum amount of G946-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0285
  • 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 G946-0285 available by request