G946-0651 Screening compound: 10-cyclopentyl-7-{5-[(E)-2-(3,4-dimethoxyphenyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0651 Screening compound: 10-cyclopentyl-7-{5-[(E)-2-(3,4-dimethoxyphenyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0651 Screening compound: 10-cyclopentyl-7-{5-[(E)-2-(3,4-dimethoxyphenyl)-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 G946-0651
10-cyclopentyl-7-{5-[(E)-2-(3,4-dimethoxyphenyl)-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

G946-0651

Molecular Formula

C30H27N3O4S (C30 H27 N3 O4 S)

Compound Name

10-cyclopentyl-7-{5-[(E)-2-(3,4-dimethoxyphenyl)-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-(34-dimethoxyphenyl)ethenyl]-124-oxadiazol-3-yl}-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-one

SMILES

COc(ccc(/C=C/c1nc(-c(cc2)cc(Sc3c4cccc3)c2N(C2CCCC2)C4=O)no1)c1)c1OC

InChI

InChI=1S/C30H27N3O4S/c1-35-24-15-11-19(17-25(24)36-2)12-16-28-31-29(32-37-28)20-13-14-23-27(18-20)38-26-10-6-5-9-22(26)30(34)33(23)21-7-3-4-8-21/h5-6,9-18,21H,3-4,7-8H2,1-2H3

InChI Key

WPEVMTWBSGZWBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.158

Distribution Coefficient, logD

7.158

Water Solubility, LogSw

-5.65

Polar Surface Area

61.320

Acid Dissociation Constant (pKa)

25.88

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

G946-0651 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G946-0651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0651?
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What is the minimum amount of G946-0651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0651
  • 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 G946-0651 available by request