4357-3591 Screening compound: 1-(3,4-dimethylphenyl)-3,4-dimethyl-1H,6H-pyrano[2,3-c]pyrazol-6-one

4357-3591 Screening compound: 1-(3,4-dimethylphenyl)-3,4-dimethyl-1H,6H-pyrano[2,3-c]pyrazol-6-one
4357-3591 Screening compound: 1-(3,4-dimethylphenyl)-3,4-dimethyl-1H,6H-pyrano[2,3-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4357-3591
1-(3,4-dimethylphenyl)-3,4-dimethyl-1H,6H-pyrano[2,3-c]pyrazol-6-one

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

4357-3591

Molecular Formula

C16H16N2O2 (C16 H16 N2 O2)

Compound Name

1-(3,4-dimethylphenyl)-3,4-dimethyl-1H,6H-pyrano[2,3-c]pyrazol-6-one

IUPAC name

1-(34-dimethylphenyl)-34-dimethyl-1H6H-pyrano[23-c]pyrazol-6-one

SMILES

Cc(c(C(C)=C1)c2OC1=O)nn2-c1cc(C)c(C)cc1

InChI

InChI=1S/C16H16N2O2/c1-9-5-6-13(7-10(9)2)18-16-15(12(4)17-18)11(3)8-14(19)20-16/h5-8H,1-4H3

InChI Key

ZGMXEAIVEMWICS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00638556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.424

Distribution Coefficient, logD

3.424

Water Solubility, LogSw

-3.87

Polar Surface Area

33.668

Acid Dissociation Constant (pKa)

28.01

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4357-3591 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4357-3591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4357-3591?
Check Price and Availability of 4357-3591, 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 4357-3591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4357-3591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4357-3591
  • 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 4357-3591 available by request