G946-0118 Screening compound: N~1~-{1-[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

G946-0118 Screening compound: N~1~-{1-[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
G946-0118 Screening compound: N~1~-{1-[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0118
N~1~-{1-[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

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

G946-0118

Molecular Formula

C25H20N4O3S (C25 H20 N4 O3 S)

Compound Name

N~1~-{1-[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

IUPAC name

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

SMILES

CC(c1nc(-c(cc2)cc(Sc3c4cccc3)c2N(C)C4=O)no1)NC(c1ccccc1)=O

InChI

InChI=1S/C25H20N4O3S/c1-15(26-23(30)16-8-4-3-5-9-16)24-27-22(28-32-24)17-12-13-19-21(14-17)33-20-11-7-6-10-18(20)25(31)29(19)2/h3-15H,1-2H3,(H,26,30)/t15-/m0/s1

InChI Key

CJOMQQYJJMQSDZ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27169605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.683

Distribution Coefficient, logD

4.683

Water Solubility, LogSw

-4.50

Polar Surface Area

70.692

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

-5.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

G946-0118 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0118?
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What is the minimum amount of G946-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0118
  • 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 G946-0118 available by request