Y200-5580 Screening compound: 4-tert-butyl-N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-4-yl}benzene-1-sulfonamide

Y200-5580 Screening compound: 4-tert-butyl-N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-4-yl}benzene-1-sulfonamide
Y200-5580 Screening compound: 4-tert-butyl-N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-4-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-5580
4-tert-butyl-N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-4-yl}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

Y200-5580

Molecular Formula

C20H22FN3O2S (C20 H22 FN3 O2 S)

Compound Name

4-tert-butyl-N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-4-yl}benzene-1-sulfonamide

IUPAC name

4-tert-butyl-N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-4-yl}benzene-1-sulfonamide

SMILES

CC(C)(C)c(cc1)ccc1S(Nc1cn(Cc(cccc2)c2F)nc1)(=O)=O

InChI

InChI=1S/C20H22FN3O2S/c1-20(2,3)16-8-10-18(11-9-16)27(25,26)23-17-12-22-24(14-17)13-15-6-4-5-7-19(15)21/h4-12,14,23H,13H2,1-3H3

InChI Key

NWTNWZJUMSUDLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05126904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.723

Distribution Coefficient, logD

4.091

Water Solubility, LogSw

-4.36

Polar Surface Area

55.394

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y200-5580 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Nuclear receptors
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y200-5580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-5580?
Check Price and Availability of Y200-5580, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y200-5580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-5580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-5580
  • 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 Y200-5580 available by request