C618-0186 Screening compound: ethyl 3-{4-chloro-8-methylthieno[3,2-c]quinoline-2-amido}benzoate

C618-0186 Screening compound: ethyl 3-{4-chloro-8-methylthieno[3,2-c]quinoline-2-amido}benzoate
C618-0186 Screening compound: ethyl 3-{4-chloro-8-methylthieno[3,2-c]quinoline-2-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C618-0186
ethyl 3-{4-chloro-8-methylthieno[3,2-c]quinoline-2-amido}benzoate

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

C618-0186

Molecular Formula

C22H17ClN2O3S (C22 H17 ClN2 O3 S)

Compound Name

ethyl 3-{4-chloro-8-methylthieno[3,2-c]quinoline-2-amido}benzoate

IUPAC name

ethyl 3-{4-chloro-8-methylthieno[32-c]quinoline-2-amido}benzoate

SMILES

CCOC(c1cccc(NC(c2cc(c(Cl)nc3ccc(C)cc33)c3s2)=O)c1)=O

InChI

InChI=1S/C22H17ClN2O3S/c1-3-28-22(27)13-5-4-6-14(10-13)24-21(26)18-11-16-19(29-18)15-9-12(2)7-8-17(15)25-20(16)23/h4-11H,3H2,1-2H3,(H,24,26)

InChI Key

DPAQEMSGPATGJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.673

Distribution Coefficient, logD

6.673

Water Solubility, LogSw

-6.27

Polar Surface Area

53.798

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C618-0186 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C618-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C618-0186?
Check Price and Availability of C618-0186, 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 C618-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C618-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C618-0186
  • 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 C618-0186 available by request