K953-0096 Screening compound: 3-{[6-fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl]carbonyl}-4-(4-methylphenyl)-1H-isochromen-1-one

K953-0096 Screening compound: 3-{[6-fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl]carbonyl}-4-(4-methylphenyl)-1H-isochromen-1-one
K953-0096 Screening compound: 3-{[6-fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl]carbonyl}-4-(4-methylphenyl)-1H-isochromen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0096
3-{[6-fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl]carbonyl}-4-(4-methylphenyl)-1H-isochromen-1-one

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

K953-0096

Molecular Formula

C27H22FNO3 (C27 H22 FNO3)

Compound Name

3-{[6-fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl]carbonyl}-4-(4-methylphenyl)-1H-isochromen-1-one

IUPAC name

n/a

SMILES

CC(CC1)N(C(C(O2)=C(c3ccc(C)cc3)c(cccc3)c3C2=O)=O)c(cc2)c1cc2F

InChI

InChI=1S/C27H22FNO3/c1-16-7-10-18(11-8-16)24-21-5-3-4-6-22(21)27(31)32-25(24)26(30)29-17(2)9-12-19-15-20(28)13-14-23(19)29/h3-8,10-11,13-15,17H,9,12H2,1-2H3/t17-/m1/s1

InChI Key

UANLEGANOHGWJI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03021128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.546

Distribution Coefficient, logD

5.546

Water Solubility, LogSw

-5.53

Polar Surface Area

35.219

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

K953-0096 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K953-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0096?
Check Price and Availability of K953-0096, 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 K953-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0096
  • 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 K953-0096 available by request