G946-0578 Screening compound: 10-cyclopropyl-7-{5-[(Z)-2-(2-furyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0578 Screening compound: 10-cyclopropyl-7-{5-[(Z)-2-(2-furyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0578 Screening compound: 10-cyclopropyl-7-{5-[(Z)-2-(2-furyl)-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 G946-0578
10-cyclopropyl-7-{5-[(Z)-2-(2-furyl)-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

G946-0578

Molecular Formula

C24H17N3O3S (C24 H17 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(C2CC2)c(ccc(-c2noc(/C=C\c3ccco3)n2)c2)c2Sc2c1cccc2

InChI

InChI=1S/C24H17N3O3S/c28-24-18-5-1-2-6-20(18)31-21-14-15(7-11-19(21)27(24)16-8-9-16)23-25-22(30-26-23)12-10-17-4-3-13-29-17/h1-7,10-14,16H,8-9H2

InChI Key

HNBBVMACBVCDFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.018

Distribution Coefficient, logD

6.018

Water Solubility, LogSw

-5.99

Polar Surface Area

53.773

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G946-0578 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 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
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G946-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0578?
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What is the minimum amount of G946-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0578
  • 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 G946-0578 available by request