8016-9988 Screening compound: N~8~-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}-8-quinolinesulfonamide

8016-9988 Screening compound: N~8~-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}-8-quinolinesulfonamide
8016-9988 Screening compound: N~8~-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}-8-quinolinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9988
N~8~-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}-8-quinolinesulfonamide

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

8016-9988

Molecular Formula

C25H17F3N4O2S (C25 H17 F3 N4 O2 S)

Compound Name

N~8~-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}-8-quinolinesulfonamide

IUPAC name

N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}quinoline-8-sulfonamide

SMILES

O=S(c1cccc2cccnc12)(Nc(cc1)ccc1-c1cc(C(F)(F)F)nn1-c1ccccc1)=O

InChI

InChI=1S/C25H17F3N4O2S/c26-25(27,28)23-16-21(32(30-23)20-8-2-1-3-9-20)17-11-13-19(14-12-17)31-35(33,34)22-10-4-6-18-7-5-15-29-24(18)22/h1-16,31H

InChI Key

HZDGLZQUMSPHFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.246

Distribution Coefficient, logD

5.189

Water Solubility, LogSw

-5.89

Polar Surface Area

63.244

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

8016-9988 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8016-9988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9988?
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What is the minimum amount of 8016-9988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9988
  • 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 8016-9988 available by request