G580-0098 Screening compound: 3-chloro-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzene-1-sulfonamide

G580-0098 Screening compound: 3-chloro-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzene-1-sulfonamide
G580-0098 Screening compound: 3-chloro-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G580-0098
3-chloro-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzene-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

G580-0098

Molecular Formula

C15H20ClN3O3S (C15 H20 ClN3 O3 S)

Compound Name

3-chloro-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzene-1-sulfonamide

IUPAC name

3-chloro-N-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxybenzene-1-sulfonamide

SMILES

CCn1nc(C)c(CNS(c(cc2)cc(Cl)c2OC)(=O)=O)c1C

InChI

InChI=1S/C15H20ClN3O3S/c1-5-19-11(3)13(10(2)18-19)9-17-23(20,21)12-6-7-15(22-4)14(16)8-12/h6-8,17H,5,9H2,1-4H3

InChI Key

AHXGOTJQIKHPBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15020468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.200

Distribution Coefficient, logD

2.194

Water Solubility, LogSw

-3.19

Polar Surface Area

63.905

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G580-0098 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 G580-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G580-0098?
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What is the minimum amount of G580-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G580-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G580-0098
  • 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 G580-0098 available by request