G946-0288 Screening compound: 10-ethyl-7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0288 Screening compound: 10-ethyl-7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0288 Screening compound: 10-ethyl-7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0288
10-ethyl-7-[5-(3-fluorophenyl)-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

G946-0288

Molecular Formula

C23H16FN3O2S (C23 H16 FN3 O2 S)

Compound Name

10-ethyl-7-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

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

SMILES

CCN(c(ccc(-c1noc(-c2cc(F)ccc2)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C23H16FN3O2S/c1-2-27-18-11-10-14(13-20(18)30-19-9-4-3-8-17(19)23(27)28)21-25-22(29-26-21)15-6-5-7-16(24)12-15/h3-13H,2H2,1H3

InChI Key

APXXFSFQCWVWJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.150

Distribution Coefficient, logD

6.150

Water Solubility, LogSw

-5.52

Polar Surface Area

46.803

Acid Dissociation Constant (pKa)

28.28

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

G946-0288 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0288?
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What is the minimum amount of G946-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0288
  • 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 G946-0288 available by request