K788-3124 Screening compound: 10-(2-chlorobenzyl)-8-(2,3-dihydro-1H-indol-1-ylcarbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one

K788-3124 Screening compound: 10-(2-chlorobenzyl)-8-(2,3-dihydro-1H-indol-1-ylcarbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
K788-3124 Screening compound: 10-(2-chlorobenzyl)-8-(2,3-dihydro-1H-indol-1-ylcarbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3124
10-(2-chlorobenzyl)-8-(2,3-dihydro-1H-indol-1-ylcarbonyl)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

K788-3124

Molecular Formula

C29H21ClN2O2S (C29 H21 ClN2 O2 S)

Compound Name

10-(2-chlorobenzyl)-8-(2,3-dihydro-1H-indol-1-ylcarbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

9-[(2-chlorophenyl)methyl]-6-(23-dihydro-1H-indole-1-carbonyl)-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-10-one

SMILES

O=C(c(cc1)cc(N2Cc(cccc3)c3Cl)c1Sc(cccc1)c1C2=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C29H21ClN2O2S/c30-23-10-4-1-8-21(23)18-32-25-17-20(28(33)31-16-15-19-7-2-5-11-24(19)31)13-14-27(25)35-26-12-6-3-9-22(26)29(32)34/h1-14,17H,15-16,18H2

InChI Key

FXCCKRLKTNWKHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.604

Distribution Coefficient, logD

6.604

Water Solubility, LogSw

-6.20

Polar Surface Area

31.079

Acid Dissociation Constant (pKa)

25.87

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

K788-3124 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 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
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K788-3124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3124?
Check Price and Availability of K788-3124, 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 K788-3124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3124
  • 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 K788-3124 available by request