G946-0540 Screening compound: 7-{5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-10-cyclopropyldibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0540 Screening compound: 7-{5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-10-cyclopropyldibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0540 Screening compound: 7-{5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-10-cyclopropyldibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0540
7-{5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-10-cyclopropyldibenzo[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

G946-0540

Molecular Formula

C25H18ClN3O3S (C25 H18 ClN3 O3 S)

Compound Name

7-{5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-10-cyclopropyldibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

5-{5-[(4-chlorophenoxy)methyl]-124-oxadiazol-3-yl}-9-cyclopropyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-one

SMILES

O=C1N(C2CC2)c(ccc(-c2noc(COc(cc3)ccc3Cl)n2)c2)c2Sc2c1cccc2

InChI

InChI=1S/C25H18ClN3O3S/c26-16-6-10-18(11-7-16)31-14-23-27-24(28-32-23)15-5-12-20-22(13-15)33-21-4-2-1-3-19(21)25(30)29(20)17-8-9-17/h1-7,10-13,17H,8-9,14H2

InChI Key

SKWCETKQPBUXNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.523

Distribution Coefficient, logD

6.523

Water Solubility, LogSw

-6.39

Polar Surface Area

53.524

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G946-0540 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0540?
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What is the minimum amount of G946-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0540
  • 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 G946-0540 available by request