G946-0494 Screening compound: 4-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

G946-0494 Screening compound: 4-[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
G946-0494 Screening compound: 4-[3-(10-cyclopropyl-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 G946-0494
4-[3-(10-cyclopropyl-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

G946-0494

Molecular Formula

C25H16N4O2S (C25 H16 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(cc1)ccc1-c1nc(-c(cc2)cc(Sc3c4cccc3)c2N(C2CC2)C4=O)no1

InChI

InChI=1S/C25H16N4O2S/c26-14-15-5-7-16(8-6-15)24-27-23(28-31-24)17-9-12-20-22(13-17)32-21-4-2-1-3-19(21)25(30)29(20)18-10-11-18/h1-9,12-13,18H,10-11H2

InChI Key

LWYMPALLEMYFKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.49

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

5.787

Distribution Coefficient, logD

5.787

Water Solubility, LogSw

-5.96

Polar Surface Area

63.415

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

G946-0494 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 G946-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0494?
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What is the minimum amount of G946-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0494
  • 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 G946-0494 available by request