6469-0311 Screening compound: 2-[(1E)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]ethenyl]quinolin-8-yl acetate

6469-0311 Screening compound: 2-[(1E)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]ethenyl]quinolin-8-yl acetate
6469-0311 Screening compound: 2-[(1E)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]ethenyl]quinolin-8-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6469-0311
2-[(1E)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]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

6469-0311

Molecular Formula

C24H18ClNO3 (C24 H18 ClNO3)

Compound Name

2-[(1E)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]ethenyl]quinolin-8-yl acetate

IUPAC name

2-[(1E)-2-[5-(3-chloro-4-methylphenyl)furan-2-yl]ethenyl]quinolin-8-yl acetate

SMILES

CC(Oc1c2nc(/C=C/c3ccc(-c4cc(Cl)c(C)cc4)o3)ccc2ccc1)=O

InChI

InChI=1S/C24H18ClNO3/c1-15-6-7-18(14-21(15)25)22-13-12-20(29-22)11-10-19-9-8-17-4-3-5-23(24(17)26-19)28-16(2)27/h3-14H,1-2H3

InChI Key

NYRNLGVFGWSVEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13370926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.558

Distribution Coefficient, logD

6.558

Water Solubility, LogSw

-6.59

Polar Surface Area

37.971

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

6469-0311 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 6469-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6469-0311?
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What is the minimum amount of 6469-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6469-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6469-0311
  • 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 6469-0311 available by request