8018-7265 Screening compound: N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-2H-chromene-6-sulfonamide

8018-7265 Screening compound: N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-2H-chromene-6-sulfonamide
8018-7265 Screening compound: N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-2H-chromene-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7265
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-2H-chromene-6-sulfonamide

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

8018-7265

Molecular Formula

C16H9F4NO4S (C16 H9 F4 NO4 S)

Compound Name

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-2H-chromene-6-sulfonamide

IUPAC name

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-2H-chromene-6-sulfonamide

SMILES

O=C(C=C1)Oc(cc2)c1cc2S(Nc(cc1)cc(C(F)(F)F)c1F)(=O)=O

InChI

InChI=1S/C16H9F4NO4S/c17-13-4-2-10(8-12(13)16(18,19)20)21-26(23,24)11-3-5-14-9(7-11)1-6-15(22)25-14/h1-8,21H

InChI Key

UFXUZNVYYFZAGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.482

Distribution Coefficient, logD

1.686

Water Solubility, LogSw

-3.92

Polar Surface Area

61.295

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-12.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8018-7265 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 8018-7265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7265?
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What is the minimum amount of 8018-7265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7265
  • 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 8018-7265 available by request