4157-0919 Screening compound: 3-[(6-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanyl]propanoic acid

4157-0919 Screening compound: 3-[(6-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanyl]propanoic acid
4157-0919 Screening compound: 3-[(6-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4157-0919
3-[(6-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanyl]propanoic 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

4157-0919

Molecular Formula

C15H16BrNO2S (C15 H16 BrNO2 S)

Compound Name

3-[(6-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanyl]propanoic acid

IUPAC name

3-[(6-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanyl]propanoic acid

SMILES

CCc1c(C)nc(ccc(Br)c2)c2c1SCCC(O)=O

InChI

InChI=1S/C15H16BrNO2S/c1-3-11-9(2)17-13-5-4-10(16)8-12(13)15(11)20-7-6-14(18)19/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)

InChI Key

DYAJWTFMGQUTQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02734709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.902

Distribution Coefficient, logD

3.902

Water Solubility, LogSw

-3.99

Polar Surface Area

37.530

Acid Dissociation Constant (pKa)

4.73

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4157-0919 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4157-0919 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4157-0919?
Check Price and Availability of 4157-0919, 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 4157-0919 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4157-0919
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4157-0919
  • 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 4157-0919 available by request