G946-0439 Screening compound: 10-propyl-7-{5-[(E)-2-(2-thienyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0439 Screening compound: 10-propyl-7-{5-[(E)-2-(2-thienyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0439 Screening compound: 10-propyl-7-{5-[(E)-2-(2-thienyl)-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 G946-0439
10-propyl-7-{5-[(E)-2-(2-thienyl)-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

G946-0439

Molecular Formula

C24H19N3O2S2 (C24 H19 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCN(c(ccc(-c1noc(/C=C/c2cccs2)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C24H19N3O2S2/c1-2-13-27-19-11-9-16(15-21(19)31-20-8-4-3-7-18(20)24(27)28)23-25-22(29-26-23)12-10-17-6-5-14-30-17/h3-12,14-15H,2,13H2,1H3

InChI Key

PRMIBZAOVFNVAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.841

Distribution Coefficient, logD

6.841

Water Solubility, LogSw

-5.62

Polar Surface Area

47.740

Acid Dissociation Constant (pKa)

27.33

Base Dissociation Constant (pKb)

-5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G946-0439 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G946-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0439?
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What is the minimum amount of G946-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0439
  • 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 G946-0439 available by request