K953-0349 Screening compound: 4-(4-methylphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]-1H-isochromene-3-carboxamide

K953-0349 Screening compound: 4-(4-methylphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]-1H-isochromene-3-carboxamide
K953-0349 Screening compound: 4-(4-methylphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]-1H-isochromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K953-0349
4-(4-methylphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]-1H-isochromene-3-carboxamide

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

K953-0349

Molecular Formula

C24H16F3NO3 (C24 H16 F3 NO3)

Compound Name

4-(4-methylphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]-1H-isochromene-3-carboxamide

IUPAC name

4-(4-methylphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]-1H-isochromene-3-carboxamide

SMILES

Cc(cc1)ccc1C(c1c2cccc1)=C(C(Nc1cccc(C(F)(F)F)c1)=O)OC2=O

InChI

InChI=1S/C24H16F3NO3/c1-14-9-11-15(12-10-14)20-18-7-2-3-8-19(18)23(30)31-21(20)22(29)28-17-6-4-5-16(13-17)24(25,26)27/h2-13H,1H3,(H,28,29)

InChI Key

GYTIMCAIMJZASR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.743

Distribution Coefficient, logD

5.740

Water Solubility, LogSw

-5.71

Polar Surface Area

44.059

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with K953-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K953-0349?
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What is the minimum amount of K953-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K953-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K953-0349
  • 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 K953-0349 available by request