C167-0121 Screening compound: ethyl 3-[2-(thiophen-2-yl)quinoline-4-amido]benzoate

C167-0121 Screening compound: ethyl 3-[2-(thiophen-2-yl)quinoline-4-amido]benzoate
C167-0121 Screening compound: ethyl 3-[2-(thiophen-2-yl)quinoline-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C167-0121
ethyl 3-[2-(thiophen-2-yl)quinoline-4-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

C167-0121

Molecular Formula

C23H18N2O3S (C23 H18 N2 O3 S)

Compound Name

ethyl 3-[2-(thiophen-2-yl)quinoline-4-amido]benzoate

IUPAC name

ethyl 3-[2-(thiophen-2-yl)quinoline-4-amido]benzoate

SMILES

CCOC(c1cccc(NC(c2cc(-c3cccs3)nc3ccccc23)=O)c1)=O

InChI

InChI=1S/C23H18N2O3S/c1-2-28-23(27)15-7-5-8-16(13-15)24-22(26)18-14-20(21-11-6-12-29-21)25-19-10-4-3-9-17(18)19/h3-14H,2H2,1H3,(H,24,26)

InChI Key

VYHUVQPDTJHZFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.982

Distribution Coefficient, logD

5.982

Water Solubility, LogSw

-5.74

Polar Surface Area

53.161

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C167-0121 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C167-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C167-0121?
Check Price and Availability of C167-0121, 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 C167-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C167-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C167-0121
  • 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 C167-0121 available by request