G946-0192 Screening compound: 7-{5-[(E)-2-(2-chlorophenyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0192 Screening compound: 7-{5-[(E)-2-(2-chlorophenyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0192 Screening compound: 7-{5-[(E)-2-(2-chlorophenyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0192
7-{5-[(E)-2-(2-chlorophenyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}-10-ethyldibenzo[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

G946-0192

Molecular Formula

C25H18ClN3O2S (C25 H18 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(ccc(-c1noc(/C=C/c(cccc2)c2Cl)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C25H18ClN3O2S/c1-2-29-20-13-11-17(15-22(20)32-21-10-6-4-8-18(21)25(29)30)24-27-23(31-28-24)14-12-16-7-3-5-9-19(16)26/h3-15H,2H2,1H3

InChI Key

RYINUMMYMICPRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.96

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

7.378

Distribution Coefficient, logD

7.378

Water Solubility, LogSw

-6.24

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

G946-0192 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G946-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0192?
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What is the minimum amount of G946-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0192
  • 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 G946-0192 available by request