C593-0086 Screening compound: ethyl 1-{4-chlorothieno[3,2-c]quinoline-2-carbonyl}piperidine-3-carboxylate

C593-0086 Screening compound: ethyl 1-{4-chlorothieno[3,2-c]quinoline-2-carbonyl}piperidine-3-carboxylate
C593-0086 Screening compound: ethyl 1-{4-chlorothieno[3,2-c]quinoline-2-carbonyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-0086
ethyl 1-{4-chlorothieno[3,2-c]quinoline-2-carbonyl}piperidine-3-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

C593-0086

Molecular Formula

C20H19ClN2O3S (C20 H19 ClN2 O3 S)

Compound Name

ethyl 1-{4-chlorothieno[3,2-c]quinoline-2-carbonyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{4-chlorothieno[32-c]quinoline-2-carbonyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1cc(c(Cl)nc2ccccc22)c2s1)=O)=O

InChI

InChI=1S/C20H19ClN2O3S/c1-2-26-20(25)12-6-5-9-23(11-12)19(24)16-10-14-17(27-16)13-7-3-4-8-15(13)22-18(14)21/h3-4,7-8,10,12H,2,5-6,9,11H2,1H3/t12-/m0/s1

InChI Key

GOBWIRWOPDWTDT-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14773373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.530

Distribution Coefficient, logD

4.530

Water Solubility, LogSw

-4.61

Polar Surface Area

47.289

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

C593-0086 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C593-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-0086?
Check Price and Availability of C593-0086, 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 C593-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-0086
  • 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 C593-0086 available by request