4410-4159 Screening compound: 4-[(4Z)-4-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

4410-4159 Screening compound: 4-[(4Z)-4-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
4410-4159 Screening compound: 4-[(4Z)-4-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4410-4159
4-[(4Z)-4-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-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

4410-4159

Molecular Formula

C25H19ClF3N3O5S (C25 H19 ClF3 N3 O5 S)

Compound Name

4-[(4Z)-4-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

IUPAC name

4-[(4Z)-4-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-5-oxo-3-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

SMILES

COc(cc(/C=C(/C(C(F)(F)F)=NN1c(cc2)ccc2S(N)(=O)=O)\C1=O)cc1)c1OCc(cc1)ccc1Cl

InChI

InChI=1S/C25H19ClF3N3O5S/c1-36-22-13-16(4-11-21(22)37-14-15-2-5-17(26)6-3-15)12-20-23(25(27,28)29)31-32(24(20)33)18-7-9-19(10-8-18)38(30,34)35/h2-13H,14H2,1H3,(H2,30,34,35)

InChI Key

NEKYSTAAIJAJIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02908102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.96

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.128

Distribution Coefficient, logD

4.127

Water Solubility, LogSw

-4.95

Polar Surface Area

91.961

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

4410-4159 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4410-4159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4410-4159?
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What is the minimum amount of 4410-4159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4410-4159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4410-4159
  • 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 4410-4159 available by request