6049-2336 Screening compound: 1-{5-[(3-chlorophenoxy)methyl]furan-2-carbonyl}-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline

6049-2336 Screening compound: 1-{5-[(3-chlorophenoxy)methyl]furan-2-carbonyl}-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
6049-2336 Screening compound: 1-{5-[(3-chlorophenoxy)methyl]furan-2-carbonyl}-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2336
1-{5-[(3-chlorophenoxy)methyl]furan-2-carbonyl}-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline

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

6049-2336

Molecular Formula

C22H19ClFNO3 (C22 H19 ClFNO3)

Compound Name

1-{5-[(3-chlorophenoxy)methyl]furan-2-carbonyl}-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline

IUPAC name

1-{5-[(3-chlorophenoxy)methyl]furan-2-carbonyl}-6-fluoro-2-methyl-1234-tetrahydroquinoline

SMILES

CC(CC1)N(C(c2ccc(COc3cccc(Cl)c3)o2)=O)c(cc2)c1cc2F

InChI

InChI=1S/C22H19ClFNO3/c1-14-5-6-15-11-17(24)7-9-20(15)25(14)22(26)21-10-8-19(28-21)13-27-18-4-2-3-16(23)12-18/h2-4,7-12,14H,5-6,13H2,1H3/t14-/m0/s1

InChI Key

WYIBEZAWRLELDG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03757616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.738

Distribution Coefficient, logD

5.738

Water Solubility, LogSw

-5.92

Polar Surface Area

29.559

Acid Dissociation Constant (pKa)

24.34

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

6049-2336 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6049-2336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2336?
Check Price and Availability of 6049-2336, 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 6049-2336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2336
  • 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 6049-2336 available by request