G946-0445 Screening compound: 7-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0445 Screening compound: 7-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0445 Screening compound: 7-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0445
7-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[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

G946-0445

Molecular Formula

C25H20FN3O2S (C25 H20 FN3 O2 S)

Compound Name

7-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

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

SMILES

CCCN(c(ccc(-c1noc(-c2cc(F)c(C)cc2)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C25H20FN3O2S/c1-3-12-29-20-11-10-16(14-22(20)32-21-7-5-4-6-18(21)25(29)30)23-27-24(31-28-23)17-9-8-15(2)19(26)13-17/h4-11,13-14H,3,12H2,1-2H3

InChI Key

GIILWESQDVKVGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

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

7.226

Distribution Coefficient, logD

7.226

Water Solubility, LogSw

-5.62

Polar Surface Area

47.056

Acid Dissociation Constant (pKa)

27.33

Base Dissociation Constant (pKb)

-5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G946-0445 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G946-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0445?
Check Price and Availability of G946-0445, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G946-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0445
  • 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 G946-0445 available by request