G946-0170 Screening compound: 10-ethyl-7-{5-[1-(4-methylphenyl)-5-oxotetrahydro-1H-pyrrol-3-yl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0170 Screening compound: 10-ethyl-7-{5-[1-(4-methylphenyl)-5-oxotetrahydro-1H-pyrrol-3-yl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0170 Screening compound: 10-ethyl-7-{5-[1-(4-methylphenyl)-5-oxotetrahydro-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 G946-0170
10-ethyl-7-{5-[1-(4-methylphenyl)-5-oxotetrahydro-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

G946-0170

Molecular Formula

C28H24N4O3S (C28 H24 N4 O3 S)

Compound Name

10-ethyl-7-{5-[1-(4-methylphenyl)-5-oxotetrahydro-1H-pyrrol-3-yl]-1,2,4-oxadiazol-3-yl}dibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

9-ethyl-5-{5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-124-oxadiazol-3-yl}-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-one

SMILES

CCN(c(ccc(-c1noc(C(CC2=O)CN2c2ccc(C)cc2)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C28H24N4O3S/c1-3-31-22-13-10-18(14-24(22)36-23-7-5-4-6-21(23)28(31)34)26-29-27(35-30-26)19-15-25(33)32(16-19)20-11-8-17(2)9-12-20/h4-14,19H,3,15-16H2,1-2H3/t19-/m0/s1

InChI Key

XKVMYLZBVNHHNL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27169628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.59

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

6.229

Distribution Coefficient, logD

6.229

Water Solubility, LogSw

-5.45

Polar Surface Area

63.553

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

G946-0170 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 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
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0170?
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What is the minimum amount of G946-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0170
  • 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 G946-0170 available by request