F828-0483 Screening compound: N-(3-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

F828-0483 Screening compound: N-(3-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
F828-0483 Screening compound: N-(3-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F828-0483
N-(3-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-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

F828-0483

Molecular Formula

C18H17ClFN3O2S (C18 H17 ClFN3 O2 S)

Compound Name

N-(3-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

IUPAC name

N-(3-chloro-2-methylphenyl)-1-(4-fluorophenyl)-35-dimethyl-1H-pyrazole-4-sulfonamide

SMILES

Cc(n(-c(cc1)ccc1F)nc1C)c1S(Nc1cccc(Cl)c1C)(=O)=O

InChI

InChI=1S/C18H17ClFN3O2S/c1-11-16(19)5-4-6-17(11)22-26(24,25)18-12(2)21-23(13(18)3)15-9-7-14(20)8-10-15/h4-10,22H,1-3H3

InChI Key

XHALQJIJWAMLFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

3.175

Water Solubility, LogSw

-4.21

Polar Surface Area

54.608

Acid Dissociation Constant (pKa)

6.58

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F828-0483 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 F828-0483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F828-0483?
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What is the minimum amount of F828-0483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F828-0483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F828-0483
  • 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 F828-0483 available by request