2491-0786 Screening compound: ethyl 1-(4-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate

2491-0786 Screening compound: ethyl 1-(4-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate
2491-0786 Screening compound: ethyl 1-(4-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2491-0786
ethyl 1-(4-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate

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

2491-0786

Molecular Formula

C21H18ClN3O4 (C21 H18 ClN3 O4)

Compound Name

ethyl 1-(4-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate

IUPAC name

ethyl 1-(4-chlorophenyl)-5-(4-methylphenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-c]pyrazole-3-carboxylate

SMILES

CCOC(C(C(C1C(N2c3ccc(C)cc3)=O)C2=O)=NN1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H18ClN3O4/c1-3-29-21(28)17-16-18(25(23-17)15-10-6-13(22)7-11-15)20(27)24(19(16)26)14-8-4-12(2)5-9-14/h4-11,16,18H,3H2,1-2H3

InChI Key

ZOHMXAABPOPDBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02236017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.534

Distribution Coefficient, logD

3.424

Water Solubility, LogSw

-3.62

Polar Surface Area

62.473

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.80

2491-0786 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2491-0786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2491-0786?
Check Price and Availability of 2491-0786, 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 2491-0786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2491-0786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2491-0786
  • 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 2491-0786 available by request