4309-0807 Screening compound: 3,4-dimethyl-1-phenyl-1H,6H-pyrano[2,3-c]pyrazol-6-one

4309-0807 Screening compound: 3,4-dimethyl-1-phenyl-1H,6H-pyrano[2,3-c]pyrazol-6-one
4309-0807 Screening compound: 3,4-dimethyl-1-phenyl-1H,6H-pyrano[2,3-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4309-0807
3,4-dimethyl-1-phenyl-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

4309-0807

Molecular Formula

C14H12N2O2 (C14 H12 N2 O2)

Compound Name

3,4-dimethyl-1-phenyl-1H,6H-pyrano[2,3-c]pyrazol-6-one

IUPAC name

34-dimethyl-1-phenyl-1H6H-pyrano[23-c]pyrazol-6-one

SMILES

Cc(c(C(C)=C1)c2OC1=O)nn2-c1ccccc1

InChI

InChI=1S/C14H12N2O2/c1-9-8-12(17)18-14-13(9)10(2)15-16(14)11-6-4-3-5-7-11/h3-8H,1-2H3

InChI Key

BCRIECZRUAGVHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00105560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.26

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

2.175

Distribution Coefficient, logD

2.175

Water Solubility, LogSw

-2.41

Polar Surface Area

33.668

Acid Dissociation Constant (pKa)

30.81

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4309-0807 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4309-0807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4309-0807?
Check Price and Availability of 4309-0807, 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 4309-0807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4309-0807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4309-0807
  • 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 4309-0807 available by request