G946-0735 Screening compound: 10-cyclopentyl-7-{5-[(E)-2-phenyl-1-ethenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0735 Screening compound: 10-cyclopentyl-7-{5-[(E)-2-phenyl-1-ethenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0735 Screening compound: 10-cyclopentyl-7-{5-[(E)-2-phenyl-1-ethenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0735
10-cyclopentyl-7-{5-[(E)-2-phenyl-1-ethenyl]-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

G946-0735

Molecular Formula

C28H23N3O2S (C28 H23 N3 O2 S)

Compound Name

10-cyclopentyl-7-{5-[(E)-2-phenyl-1-ethenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

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

SMILES

O=C1N(C2CCCC2)c(ccc(-c2noc(/C=C/c3ccccc3)n2)c2)c2Sc2c1cccc2

InChI

InChI=1S/C28H23N3O2S/c32-28-22-12-6-7-13-24(22)34-25-18-20(15-16-23(25)31(28)21-10-4-5-11-21)27-29-26(33-30-27)17-14-19-8-2-1-3-9-19/h1-3,6-9,12-18,21H,4-5,10-11H2

InChI Key

KCTLMXIDENJAQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.456

Distribution Coefficient, logD

7.456

Water Solubility, LogSw

-6.16

Polar Surface Area

46.060

Acid Dissociation Constant (pKa)

25.88

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

G946-0735 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G946-0735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0735?
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What is the minimum amount of G946-0735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0735
  • 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 G946-0735 available by request