8017-8461 Screening compound: N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-fluoro-1-naphthalenesulfonamide

8017-8461 Screening compound: N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-fluoro-1-naphthalenesulfonamide
8017-8461 Screening compound: N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-fluoro-1-naphthalenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8461
N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-fluoro-1-naphthalenesulfonamide

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

8017-8461

Molecular Formula

C21H18FN3O3S (C21 H18 FN3 O3 S)

Compound Name

N~1~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-fluoro-1-naphthalenesulfonamide

IUPAC name

N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-4-fluoronaphthalene-1-sulfonamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NS(c(c1ccccc11)ccc1F)(=O)=O

InChI

InChI=1S/C21H18FN3O3S/c1-14-20(21(26)25(24(14)2)15-8-4-3-5-9-15)23-29(27,28)19-13-12-18(22)16-10-6-7-11-17(16)19/h3-13,23H,1-2H3

InChI Key

CBNUBOPQGPCQQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.589

Distribution Coefficient, logD

-3.710

Water Solubility, LogSw

-3.02

Polar Surface Area

60.998

Acid Dissociation Constant (pKa)

1.10

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

8017-8461 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-8461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8461?
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What is the minimum amount of 8017-8461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8461
  • 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 8017-8461 available by request