K783-4217 Screening compound: ethyl 10-(3-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

K783-4217 Screening compound: ethyl 10-(3-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
K783-4217 Screening compound: ethyl 10-(3-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-4217
ethyl 10-(3-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

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

K783-4217

Molecular Formula

C24H21NO3S (C24 H21 NO3 S)

Compound Name

ethyl 10-(3-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate

IUPAC name

ethyl 9-[(3-methylphenyl)methyl]-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxylate

SMILES

CCOC(c(cc1)cc(N2Cc3cc(C)ccc3)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C24H21NO3S/c1-3-28-24(27)18-11-12-22-20(14-18)25(15-17-8-6-7-16(2)13-17)23(26)19-9-4-5-10-21(19)29-22/h4-14H,3,15H2,1-2H3

InChI Key

TWGCBMJVSABOMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.475

Distribution Coefficient, logD

6.475

Water Solubility, LogSw

-5.61

Polar Surface Area

36.154

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

-7.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K783-4217 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K783-4217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-4217?
Check Price and Availability of K783-4217, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K783-4217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-4217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-4217
  • 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 K783-4217 available by request