Y600-3616 Screening compound: 4-({[1-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)ethyl]amino}methyl)-1-benzenesulfonamide

Y600-3616 Screening compound: 4-({[1-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)ethyl]amino}methyl)-1-benzenesulfonamide
Y600-3616 Screening compound: 4-({[1-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)ethyl]amino}methyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-3616
4-({[1-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)ethyl]amino}methyl)-1-benzenesulfonamide

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

Y600-3616

Molecular Formula

C19H20N4O3S (C19 H20 N4 O3 S)

Compound Name

4-({[1-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)ethyl]amino}methyl)-1-benzenesulfonamide

IUPAC name

4-[({1-[(4Z)-3-methyl-5-oxo-1-phenyl-45-dihydro-1H-pyrazol-4-ylidene]ethyl}amino)methyl]benzene-1-sulfonamide

SMILES

C/C(/NCc(cc1)ccc1S(N)(=O)=O)=C(\C(C)=NN1c2ccccc2)/C1=O

InChI

InChI=1S/C19H20N4O3S/c1-13(21-12-15-8-10-17(11-9-15)27(20,25)26)18-14(2)22-23(19(18)24)16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3,(H2,20,25,26)

InChI Key

LJUPOCQLEUQOSU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.323

Distribution Coefficient, logD

1.233

Water Solubility, LogSw

-2.24

Polar Surface Area

87.733

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

Y600-3616 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y600-3616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-3616?
Check Price and Availability of Y600-3616, 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 Y600-3616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-3616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-3616
  • 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 Y600-3616 available by request