G946-0451 Screening compound: N~1~-{[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}benzamide

G946-0451 Screening compound: N~1~-{[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
G946-0451 Screening compound: N~1~-{[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0451
N~1~-{[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}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

G946-0451

Molecular Formula

C26H20N4O3S (C26 H20 N4 O3 S)

Compound Name

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

IUPAC name

N-[(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)methyl]benzamide

SMILES

O=C(c1ccccc1)NCc1nc(-c(cc2)cc(Sc3c4cccc3)c2N(C2CC2)C4=O)no1

InChI

InChI=1S/C26H20N4O3S/c31-25(16-6-2-1-3-7-16)27-15-23-28-24(29-33-23)17-10-13-20-22(14-17)34-21-9-5-4-8-19(21)26(32)30(20)18-11-12-18/h1-10,13-14,18H,11-12,15H2,(H,27,31)

InChI Key

FWBQNLNKDUIIIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.199

Distribution Coefficient, logD

5.199

Water Solubility, LogSw

-5.45

Polar Surface Area

70.710

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

G946-0451 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)

Targeted Diversity Library (40567 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 G946-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0451?
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What is the minimum amount of G946-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0451
  • 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 G946-0451 available by request