G946-0628 Screening compound: 10-cyclopentyl-7-[5-(5-oxo-1-phenyltetrahydro-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0628 Screening compound: 10-cyclopentyl-7-[5-(5-oxo-1-phenyltetrahydro-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0628 Screening compound: 10-cyclopentyl-7-[5-(5-oxo-1-phenyltetrahydro-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0628
10-cyclopentyl-7-[5-(5-oxo-1-phenyltetrahydro-1H-pyrrol-3-yl)-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

G946-0628

Molecular Formula

C30H26N4O3S (C30 H26 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(C1)c2nc(-c(cc3)cc(Sc4c5cccc4)c3N(C3CCCC3)C5=O)no2)N1c1ccccc1

InChI

InChI=1S/C30H26N4O3S/c35-27-17-20(18-33(27)21-8-2-1-3-9-21)29-31-28(32-37-29)19-14-15-24-26(16-19)38-25-13-7-6-12-23(25)30(36)34(24)22-10-4-5-11-22/h1-3,6-9,12-16,20,22H,4-5,10-11,17-18H2/t20-/m0/s1

InChI Key

NHYWHVDJMADEPV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27169836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.288

Distribution Coefficient, logD

6.288

Water Solubility, LogSw

-5.95

Polar Surface Area

63.144

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

G946-0628 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0628?
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What is the minimum amount of G946-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0628
  • 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 G946-0628 available by request