5618-0107 Screening compound: 4-[(4Z)-4-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

5618-0107 Screening compound: 4-[(4Z)-4-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
5618-0107 Screening compound: 4-[(4Z)-4-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5618-0107
4-[(4Z)-4-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-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

5618-0107

Molecular Formula

C20H20BrN3O5S (C20 H20 BrN3 O5 S)

Compound Name

4-[(4Z)-4-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

IUPAC name

4-[(4Z)-4-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

SMILES

CCOc1cc(/C=C(/C(C)=NN2c(cc3)ccc3S(N)(=O)=O)\C2=O)cc(Br)c1OC

InChI

InChI=1S/C20H20BrN3O5S/c1-4-29-18-11-13(10-17(21)19(18)28-3)9-16-12(2)23-24(20(16)25)14-5-7-15(8-6-14)30(22,26)27/h5-11H,4H2,1-3H3,(H2,22,26,27)

InChI Key

ATGARLLTSONOLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03721272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.771

Distribution Coefficient, logD

2.770

Water Solubility, LogSw

-3.38

Polar Surface Area

91.117

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5618-0107 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5618-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5618-0107?
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What is the minimum amount of 5618-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5618-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5618-0107
  • 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 5618-0107 available by request