4896-4581 Screening compound: methyl 4-[(1E)-2-{8-[(2-chlorophenyl)methoxy]quinolin-2-yl}ethenyl]benzoate

4896-4581 Screening compound: methyl 4-[(1E)-2-{8-[(2-chlorophenyl)methoxy]quinolin-2-yl}ethenyl]benzoate
4896-4581 Screening compound: methyl 4-[(1E)-2-{8-[(2-chlorophenyl)methoxy]quinolin-2-yl}ethenyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-4581
methyl 4-[(1E)-2-{8-[(2-chlorophenyl)methoxy]quinolin-2-yl}ethenyl]benzoate

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

4896-4581

Molecular Formula

C26H20ClNO3 (C26 H20 ClNO3)

Compound Name

methyl 4-[(1E)-2-{8-[(2-chlorophenyl)methoxy]quinolin-2-yl}ethenyl]benzoate

IUPAC name

methyl 4-[(1E)-2-{8-[(2-chlorophenyl)methoxy]quinolin-2-yl}ethenyl]benzoate

SMILES

COC(c1ccc(/C=C/c2ccc(cccc3OCc(cccc4)c4Cl)c3n2)cc1)=O

InChI

InChI=1S/C26H20ClNO3/c1-30-26(29)20-12-9-18(10-13-20)11-15-22-16-14-19-6-4-8-24(25(19)28-22)31-17-21-5-2-3-7-23(21)27/h2-16H,17H2,1H3

InChI Key

SUYFKNPNLZQDKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02376922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.759

Distribution Coefficient, logD

6.758

Water Solubility, LogSw

-6.56

Polar Surface Area

38.051

Acid Dissociation Constant (pKa)

28.67

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

4896-4581 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 4896-4581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-4581?
Check Price and Availability of 4896-4581, 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 4896-4581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-4581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-4581
  • 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 4896-4581 available by request