4896-4964 Screening compound: 8-(benzyloxy)-2-[(1E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline

4896-4964 Screening compound: 8-(benzyloxy)-2-[(1E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline
4896-4964 Screening compound: 8-(benzyloxy)-2-[(1E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-4964
8-(benzyloxy)-2-[(1E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline

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

4896-4964

Molecular Formula

C27H25NO4 (C27 H25 NO4)

Compound Name

8-(benzyloxy)-2-[(1E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline

IUPAC name

8-(benzyloxy)-2-[(1E)-2-(245-trimethoxyphenyl)ethenyl]quinoline

SMILES

COc(cc1OC)c(/C=C/c2ccc(cccc3OCc4ccccc4)c3n2)cc1OC

InChI

InChI=1S/C27H25NO4/c1-29-24-17-26(31-3)25(30-2)16-21(24)13-15-22-14-12-20-10-7-11-23(27(20)28-22)32-18-19-8-5-4-6-9-19/h4-17H,18H2,1-3H3

InChI Key

KDISHTPUCYYOOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02951901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.511

Distribution Coefficient, logD

5.511

Water Solubility, LogSw

-6.37

Polar Surface Area

39.769

Acid Dissociation Constant (pKa)

28.67

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

4896-4964 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 4896-4964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-4964?
Check Price and Availability of 4896-4964, 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 4896-4964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-4964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-4964
  • 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 4896-4964 available by request