D731-0579 Screening compound: 2-[(1E)-2-{5-[2-(methoxycarbonyl)phenyl]furan-2-yl}ethenyl]quinoline-4-carboxylic acid

D731-0579 Screening compound: 2-[(1E)-2-{5-[2-(methoxycarbonyl)phenyl]furan-2-yl}ethenyl]quinoline-4-carboxylic acid
D731-0579 Screening compound: 2-[(1E)-2-{5-[2-(methoxycarbonyl)phenyl]furan-2-yl}ethenyl]quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0579
2-[(1E)-2-{5-[2-(methoxycarbonyl)phenyl]furan-2-yl}ethenyl]quinoline-4-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

D731-0579

Molecular Formula

C24H17NO5 (C24 H17 NO5)

Compound Name

2-[(1E)-2-{5-[2-(methoxycarbonyl)phenyl]furan-2-yl}ethenyl]quinoline-4-carboxylic acid

IUPAC name

2-[(1E)-2-{5-[2-(methoxycarbonyl)phenyl]furan-2-yl}ethenyl]quinoline-4-carboxylic acid

SMILES

COC(c(cccc1)c1-c1ccc(/C=C/c2nc3ccccc3c(C(O)=O)c2)o1)=O

InChI

InChI=1S/C24H17NO5/c1-29-24(28)19-8-3-2-7-18(19)22-13-12-16(30-22)11-10-15-14-20(23(26)27)17-6-4-5-9-21(17)25-15/h2-14H,1H3,(H,26,27)

InChI Key

ZYBPXAKUWKOVQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05827021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.4

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

5.169

Distribution Coefficient, logD

1.224

Water Solubility, LogSw

-5.03

Polar Surface Area

65.945

Acid Dissociation Constant (pKa)

3.45

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

D731-0579 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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 D731-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0579?
Check Price and Availability of D731-0579, 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 D731-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0579
  • 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 D731-0579 available by request