8009-9453 Screening compound: 5-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

8009-9453 Screening compound: 5-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
8009-9453 Screening compound: 5-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9453
5-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-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

8009-9453

Molecular Formula

C24H18ClN3O2 (C24 H18 ClN3 O2)

Compound Name

5-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

5-(4-chlorophenyl)-4-(3-methoxyphenyl)-3-phenyl-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

COc1cccc(C(c2c(C3=O)[nH]nc2-c2ccccc2)N3c(cc2)ccc2Cl)c1

InChI

InChI=1S/C24H18ClN3O2/c1-30-19-9-5-8-16(14-19)23-20-21(15-6-3-2-4-7-15)26-27-22(20)24(29)28(23)18-12-10-17(25)11-13-18/h2-14,23H,1H3,(H,26,27)/t23-/m1/s1

InChI Key

NVIVHCDHHUEAFE-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD02029088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.197

Distribution Coefficient, logD

5.197

Water Solubility, LogSw

-5.84

Polar Surface Area

47.071

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

8009-9453 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8009-9453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9453?
Check Price and Availability of 8009-9453, 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 8009-9453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9453
  • 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 8009-9453 available by request