G946-0194 Screening compound: 4-[3-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

G946-0194 Screening compound: 4-[3-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
G946-0194 Screening compound: 4-[3-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0194
4-[3-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

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

G946-0194

Molecular Formula

C24H16N4O2S (C24 H16 N4 O2 S)

Compound Name

4-[3-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

IUPAC name

4-(3-{9-ethyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-124-oxadiazol-5-yl)benzonitrile

SMILES

CCN(c(ccc(-c1noc(-c(cc2)ccc2C#N)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C24H16N4O2S/c1-2-28-19-12-11-17(13-21(19)31-20-6-4-3-5-18(20)24(28)29)22-26-23(30-27-22)16-9-7-15(14-25)8-10-16/h3-13H,2H2,1H3

InChI Key

KYCGJEZIGZHRCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

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

5.762

Distribution Coefficient, logD

5.762

Water Solubility, LogSw

-5.45

Polar Surface Area

63.859

Acid Dissociation Constant (pKa)

28.28

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

G946-0194 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 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
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0194?
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What is the minimum amount of G946-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0194
  • 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 G946-0194 available by request