K783-4954 Screening compound: 10-(2-chloro-4-fluorobenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid

K783-4954 Screening compound: 10-(2-chloro-4-fluorobenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
K783-4954 Screening compound: 10-(2-chloro-4-fluorobenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-4954
10-(2-chloro-4-fluorobenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid

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

K783-4954

Molecular Formula

C21H13ClFNO3S (C21 H13 ClFNO3 S)

Compound Name

10-(2-chloro-4-fluorobenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid

IUPAC name

9-[(2-chloro-4-fluorophenyl)methyl]-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxylic acid

SMILES

OC(c(cc1)cc(N2Cc(ccc(F)c3)c3Cl)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C21H13ClFNO3S/c22-16-10-14(23)7-5-13(16)11-24-17-9-12(21(26)27)6-8-19(17)28-18-4-2-1-3-15(18)20(24)25/h1-10H,11H2,(H,26,27)

InChI Key

VYUQFAHRZQDCSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.895

Distribution Coefficient, logD

3.210

Water Solubility, LogSw

-5.50

Polar Surface Area

43.809

Acid Dissociation Constant (pKa)

4.72

Base Dissociation Constant (pKb)

-8.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

K783-4954 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 K783-4954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-4954?
Check Price and Availability of K783-4954, 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 K783-4954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-4954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-4954
  • 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 K783-4954 available by request