G580-0037 Screening compound: 3-chloro-4-fluoro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzene-1-sulfonamide

G580-0037 Screening compound: 3-chloro-4-fluoro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzene-1-sulfonamide
G580-0037 Screening compound: 3-chloro-4-fluoro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G580-0037
3-chloro-4-fluoro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzene-1-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

G580-0037

Molecular Formula

C13H15ClFN3O2S (C13 H15 ClFN3 O2 S)

Compound Name

3-chloro-4-fluoro-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzene-1-sulfonamide

IUPAC name

3-chloro-4-fluoro-N-[(135-trimethyl-1H-pyrazol-4-yl)methyl]benzene-1-sulfonamide

SMILES

Cc1c(CNS(c(cc2)cc(Cl)c2F)(=O)=O)c(C)nn1C

InChI

InChI=1S/C13H15ClFN3O2S/c1-8-11(9(2)18(3)17-8)7-16-21(19,20)10-4-5-13(15)12(14)6-10/h4-6,16H,7H2,1-3H3

InChI Key

FCFRVHQUIYQIHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.881

Distribution Coefficient, logD

1.866

Water Solubility, LogSw

-2.93

Polar Surface Area

56.836

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

G580-0037 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G580-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G580-0037?
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What is the minimum amount of G580-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G580-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G580-0037
  • 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 G580-0037 available by request