5588-0204 Screening compound: N-[4-({[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzenesulfonyl]guanidine

5588-0204 Screening compound: N-[4-({[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzenesulfonyl]guanidine
5588-0204 Screening compound: N-[4-({[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzenesulfonyl]guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5588-0204
N-[4-({[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzenesulfonyl]guanidine

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

5588-0204

Molecular Formula

C18H18N6O3S (C18 H18 N6 O3 S)

Compound Name

N-[4-({[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzenesulfonyl]guanidine

IUPAC name

N-[4-({[(4E)-3-methyl-5-oxo-1-phenyl-45-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzenesulfonyl]guanidine

SMILES

CC(/C(/C1=O)=C\Nc(cc2)ccc2S(NC(N)=N)(=O)=O)=NN1c1ccccc1

InChI

InChI=1S/C18H18N6O3S/c1-12-16(17(25)24(22-12)14-5-3-2-4-6-14)11-21-13-7-9-15(10-8-13)28(26,27)23-18(19)20/h2-11,21H,1H3,(H4,19,20,23)

InChI Key

GAIRZAYKUNFYEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05033477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.868

Distribution Coefficient, logD

0.868

Water Solubility, LogSw

-2.41

Polar Surface Area

117.762

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

5588-0204 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5588-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5588-0204?
Check Price and Availability of 5588-0204, 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 5588-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5588-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5588-0204
  • 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 5588-0204 available by request