G946-0190 Screening compound: 7-[5-(5-bromo-2-furyl)-1,2,4-oxadiazol-3-yl]-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0190 Screening compound: 7-[5-(5-bromo-2-furyl)-1,2,4-oxadiazol-3-yl]-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0190 Screening compound: 7-[5-(5-bromo-2-furyl)-1,2,4-oxadiazol-3-yl]-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0190
7-[5-(5-bromo-2-furyl)-1,2,4-oxadiazol-3-yl]-10-ethyldibenzo[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

G946-0190

Molecular Formula

C21H14BrN3O3S (C21 H14 BrN3 O3 S)

Compound Name

7-[5-(5-bromo-2-furyl)-1,2,4-oxadiazol-3-yl]-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

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

SMILES

CCN(c(ccc(-c1noc(-c(o2)ccc2Br)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C21H14BrN3O3S/c1-2-25-14-8-7-12(19-23-20(28-24-19)15-9-10-18(22)27-15)11-17(14)29-16-6-4-3-5-13(16)21(25)26/h3-11H,2H2,1H3

InChI Key

BOPMNDPELSZHAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.004

Distribution Coefficient, logD

6.004

Water Solubility, LogSw

-5.49

Polar Surface Area

55.729

Acid Dissociation Constant (pKa)

28.28

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

G946-0190 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0190?
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What is the minimum amount of G946-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0190
  • 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 G946-0190 available by request