8006-7575 Screening compound: 3-acetyl-1-(2-chlorophenyl)-5-phenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-4,6-dione

8006-7575 Screening compound: 3-acetyl-1-(2-chlorophenyl)-5-phenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-4,6-dione
8006-7575 Screening compound: 3-acetyl-1-(2-chlorophenyl)-5-phenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-7575
3-acetyl-1-(2-chlorophenyl)-5-phenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-4,6-dione

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

8006-7575

Molecular Formula

C19H14ClN3O3 (C19 H14 ClN3 O3)

Compound Name

3-acetyl-1-(2-chlorophenyl)-5-phenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-4,6-dione

IUPAC name

3-acetyl-1-(2-chlorophenyl)-5-phenyl-1H3aH4H5H6H6aH-pyrrolo[34-c]pyrazole-46-dione

SMILES

CC(C(C(C1C(N2c3ccccc3)=O)C2=O)=NN1c(cccc1)c1Cl)=O

InChI

InChI=1S/C19H14ClN3O3/c1-11(24)16-15-17(23(21-16)14-10-6-5-9-13(14)20)19(26)22(18(15)25)12-7-3-2-4-8-12/h2-10,15,17H,1H3

InChI Key

VDIZIYFCLMTVGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.184

Distribution Coefficient, logD

2.135

Water Solubility, LogSw

-2.66

Polar Surface Area

55.245

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.80

8006-7575 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-7575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-7575?
Check Price and Availability of 8006-7575, 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 8006-7575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-7575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-7575
  • 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 8006-7575 available by request