K780-0908 Screening compound: 11-PROPYLDIBENZO[B,F][1,4]THIAZEPINE-8-CARBOXYLIC ACID

K780-0908 Screening compound: 11-PROPYLDIBENZO[B,F][1,4]THIAZEPINE-8-CARBOXYLIC ACID
K780-0908 Screening compound: 11-PROPYLDIBENZO[B,F][1,4]THIAZEPINE-8-CARBOXYLIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0908
11-PROPYLDIBENZO[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

K780-0908

Molecular Formula

C17H15NO2S (C17 H15 NO2 S)

Compound Name

11-PROPYLDIBENZO[B,F][1,4]THIAZEPINE-8-CARBOXYLIC ACID

IUPAC name

n/a

SMILES

CCCC1=Nc(cc(cc2)C(O)=O)c2Sc2c1cccc2

InChI

InChI=1S/C17H15NO2S/c1-2-5-13-12-6-3-4-7-15(12)21-16-9-8-11(17(19)20)10-14(16)18-13/h3-4,6-10H,2,5H2,1H3,(H,19,20)

InChI Key

KTQPHUUAPZQAGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.867

Distribution Coefficient, logD

1.673

Water Solubility, LogSw

-4.29

Polar Surface Area

36.639

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

K780-0908 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K780-0908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0908?
Check Price and Availability of K780-0908, 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 K780-0908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0908
  • 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 K780-0908 available by request