3871-0054 Screening compound: 3-(5-{4-[(propan-2-yloxy)carbonyl]phenyl}furan-2-yl)benzo[f]quinoline-1-carboxylic acid

3871-0054 Screening compound: 3-(5-{4-[(propan-2-yloxy)carbonyl]phenyl}furan-2-yl)benzo[f]quinoline-1-carboxylic acid
3871-0054 Screening compound: 3-(5-{4-[(propan-2-yloxy)carbonyl]phenyl}furan-2-yl)benzo[f]quinoline-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3871-0054
3-(5-{4-[(propan-2-yloxy)carbonyl]phenyl}furan-2-yl)benzo[f]quinoline-1-carboxylic 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

3871-0054

Molecular Formula

C28H21NO5 (C28 H21 NO5)

Compound Name

3-(5-{4-[(propan-2-yloxy)carbonyl]phenyl}furan-2-yl)benzo[f]quinoline-1-carboxylic acid

IUPAC name

3-(5-{4-[(propan-2-yloxy)carbonyl]phenyl}furan-2-yl)benzo[f]quinoline-1-carboxylic acid

SMILES

CC(C)OC(c(cc1)ccc1-c1ccc(-c2nc3ccc(cccc4)c4c3c(C(O)=O)c2)o1)=O

InChI

InChI=1S/C28H21NO5/c1-16(2)33-28(32)19-9-7-18(8-10-19)24-13-14-25(34-24)23-15-21(27(30)31)26-20-6-4-3-5-17(20)11-12-22(26)29-23/h3-16H,1-2H3,(H,30,31)

InChI Key

BFJAWMOQUTUZIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05040641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.244

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-6.78

Polar Surface Area

65.266

Acid Dissociation Constant (pKa)

3.18

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

3871-0054 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3871-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3871-0054?
Check Price and Availability of 3871-0054, 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 3871-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3871-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3871-0054
  • 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 3871-0054 available by request