5548-0528 Screening compound: 1-(3,4-dichlorophenyl)-4-methyl-3-phenyl-1H,6H-pyrano[2,3-c]pyrazol-6-one

5548-0528 Screening compound: 1-(3,4-dichlorophenyl)-4-methyl-3-phenyl-1H,6H-pyrano[2,3-c]pyrazol-6-one
5548-0528 Screening compound: 1-(3,4-dichlorophenyl)-4-methyl-3-phenyl-1H,6H-pyrano[2,3-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5548-0528
1-(3,4-dichlorophenyl)-4-methyl-3-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

5548-0528

Molecular Formula

C19H12Cl2N2O2 (C19 H12 Cl2 N2 O2)

Compound Name

1-(3,4-dichlorophenyl)-4-methyl-3-phenyl-1H,6H-pyrano[2,3-c]pyrazol-6-one

IUPAC name

1-(34-dichlorophenyl)-4-methyl-3-phenyl-1H6H-pyrano[23-c]pyrazol-6-one

SMILES

CC(c(c(-c1ccccc1)nn1-c(cc2)cc(Cl)c2Cl)c1O1)=CC1=O

InChI

InChI=1S/C19H12Cl2N2O2/c1-11-9-16(24)25-19-17(11)18(12-5-3-2-4-6-12)22-23(19)13-7-8-14(20)15(21)10-13/h2-10H,1H3

InChI Key

QRQXSWSHSWUQMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04069309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.190

Distribution Coefficient, logD

5.190

Water Solubility, LogSw

-5.89

Polar Surface Area

33.590

Acid Dissociation Constant (pKa)

32.03

Base Dissociation Constant (pKb)

-4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

5548-0528 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5548-0528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5548-0528?
Check Price and Availability of 5548-0528, 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 5548-0528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5548-0528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5548-0528
  • 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 5548-0528 available by request