G946-0682 Screening compound: 10-cyclopentyl-7-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0682 Screening compound: 10-cyclopentyl-7-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0682 Screening compound: 10-cyclopentyl-7-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0682
10-cyclopentyl-7-[5-(2,4-dimethylphenyl)-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

G946-0682

Molecular Formula

C28H25N3O2S (C28 H25 N3 O2 S)

Compound Name

10-cyclopentyl-7-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

9-cyclopentyl-5-[5-(24-dimethylphenyl)-124-oxadiazol-3-yl]-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-one

SMILES

Cc(cc1)cc(C)c1-c1nc(-c(cc2)cc(Sc3c4cccc3)c2N(C2CCCC2)C4=O)no1

InChI

InChI=1S/C28H25N3O2S/c1-17-11-13-21(18(2)15-17)27-29-26(30-33-27)19-12-14-23-25(16-19)34-24-10-6-5-9-22(24)28(32)31(23)20-7-3-4-8-20/h5-6,9-16,20H,3-4,7-8H2,1-2H3

InChI Key

VVIWZJKOBSLMKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.525

Distribution Coefficient, logD

7.525

Water Solubility, LogSw

-5.58

Polar Surface Area

46.394

Acid Dissociation Constant (pKa)

25.88

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G946-0682 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 G946-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0682?
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What is the minimum amount of G946-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0682
  • 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 G946-0682 available by request