G946-0607 Screening compound: 10-cyclopentyl-7-[5-(2-oxo-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0607 Screening compound: 10-cyclopentyl-7-[5-(2-oxo-2H-chromen-3-yl)-1,2,4-oxadiazol-3-yl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0607 Screening compound: 10-cyclopentyl-7-[5-(2-oxo-2H-chromen-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 G946-0607
10-cyclopentyl-7-[5-(2-oxo-2H-chromen-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

G946-0607

Molecular Formula

C29H21N3O4S (C29 H21 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C1Oc(cccc2)c2C=C1c1nc(-c(cc2)cc(Sc3c4cccc3)c2N(C2CCCC2)C4=O)no1

InChI

InChI=1S/C29H21N3O4S/c33-28-20-10-4-6-12-24(20)37-25-16-18(13-14-22(25)32(28)19-8-2-3-9-19)26-30-27(36-31-26)21-15-17-7-1-5-11-23(17)35-29(21)34/h1,4-7,10-16,19H,2-3,8-9H2

InChI Key

NOIMPSHJQXEUPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.324

Distribution Coefficient, logD

6.324

Water Solubility, LogSw

-6.03

Polar Surface Area

67.316

Acid Dissociation Constant (pKa)

25.88

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

G946-0607 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Akt-Targeted Library (14764 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G946-0607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0607?
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What is the minimum amount of G946-0607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0607
  • 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 G946-0607 available by request