5704-0178 Screening compound: 2-[(1E)-2-[4-(acetyloxy)phenyl]ethenyl]quinolin-8-yl acetate

5704-0178 Screening compound: 2-[(1E)-2-[4-(acetyloxy)phenyl]ethenyl]quinolin-8-yl acetate
5704-0178 Screening compound: 2-[(1E)-2-[4-(acetyloxy)phenyl]ethenyl]quinolin-8-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5704-0178
2-[(1E)-2-[4-(acetyloxy)phenyl]ethenyl]quinolin-8-yl acetate

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

5704-0178

Molecular Formula

C21H17NO4 (C21 H17 NO4)

Compound Name

2-[(1E)-2-[4-(acetyloxy)phenyl]ethenyl]quinolin-8-yl acetate

IUPAC name

2-[(1E)-2-[4-(acetyloxy)phenyl]ethenyl]quinolin-8-yl acetate

SMILES

CC(Oc1ccc(/C=C/c2ccc(cccc3OC(C)=O)c3n2)cc1)=O

InChI

InChI=1S/C21H17NO4/c1-14(23)25-19-12-7-16(8-13-19)6-10-18-11-9-17-4-3-5-20(21(17)22-18)26-15(2)24/h3-13H,1-2H3

InChI Key

MRFFBVFJJNDQAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.785

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-4.22

Polar Surface Area

51.152

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

5704-0178 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5704-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5704-0178?
Check Price and Availability of 5704-0178, 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 5704-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5704-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5704-0178
  • 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 5704-0178 available by request