K786-7142 Screening compound: 10-(2-chloro-4-fluorobenzyl)-8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of ChemDiv screening compound K786-7142
10-(2-chloro-4-fluorobenzyl)-8-(1,4-dioxa-8-azaspiro[4.5]dec-8-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
K786-7142
Molecular Formula
C28H24ClFN2O4S (C28 H24 ClFN2 O4 S)
Compound Name
10-(2-chloro-4-fluorobenzyl)-8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
IUPAC name
9-[(2-chloro-4-fluorophenyl)methyl]-6-{14-dioxa-8-azaspiro[4.5]decane-8-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(ccc(F)c3)c3Cl)c1Sc(cccc1)c1C2=O)N(CC1)CCC11OCCO1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
539.03
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.963
Distribution Coefficient, logD
4.963
Water Solubility, LogSw
-5.00
Polar Surface Area
46.486
Acid Dissociation Constant (pKa)
26.29
Base Dissociation Constant (pKb)
-2.41
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
28.60
K786-7142 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Eccentric PPI Library (11937 compounds)
Protein-Protein Interaction Library (218420 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- PPI modulators
- PPI modulators
- Receptor's ligands
- Cyclic compounds
- GPCR
References: we are preparing a list of scientific research reports with K786-7142 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of K786-7142, 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.
Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)