G946-0406 Screening compound: 7-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0406 Screening compound: 7-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0406 Screening compound: 7-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0406
7-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[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

G946-0406

Molecular Formula

C28H27N3O4S (C28 H27 N3 O4 S)

Compound Name

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

IUPAC name

5-[5-(34-diethoxyphenyl)-124-oxadiazol-3-yl]-9-propyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-one

SMILES

CCCN(c(ccc(-c1noc(-c(cc2)cc(OCC)c2OCC)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C28H27N3O4S/c1-4-15-31-21-13-11-18(17-25(21)36-24-10-8-7-9-20(24)28(31)32)26-29-27(35-30-26)19-12-14-22(33-5-2)23(16-19)34-6-3/h7-14,16-17H,4-6,15H2,1-3H3

InChI Key

ZITJZRHKXGCCCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.672

Distribution Coefficient, logD

6.672

Water Solubility, LogSw

-5.62

Polar Surface Area

61.477

Acid Dissociation Constant (pKa)

27.33

Base Dissociation Constant (pKb)

-5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G946-0406 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 G946-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0406?
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What is the minimum amount of G946-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0406
  • 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 G946-0406 available by request