6220-9655 Screening compound: ethyl 5-(4-bromophenyl)-1-(4-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate

6220-9655 Screening compound: ethyl 5-(4-bromophenyl)-1-(4-methylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate
6220-9655 Screening compound: ethyl 5-(4-bromophenyl)-1-(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 6220-9655
ethyl 5-(4-bromophenyl)-1-(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

6220-9655

Molecular Formula

C21H18BrN3O4 (C21 H18 BrN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(C1C(N2c(cc3)ccc3Br)=O)C2=O)=NN1c1ccc(C)cc1)=O

InChI

InChI=1S/C21H18BrN3O4/c1-3-29-21(28)17-16-18(25(23-17)15-8-4-12(2)5-9-15)20(27)24(19(16)26)14-10-6-13(22)7-11-14/h4-11,16,18H,3H2,1-2H3

InChI Key

BSFVOERALJXLNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01575735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.3

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

3.774

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-3.88

Polar Surface Area

62.473

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.80

6220-9655 in Drug Discovery

Included in Screening Libraries

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 6220-9655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6220-9655?
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What is the minimum amount of 6220-9655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6220-9655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6220-9655
  • 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 6220-9655 available by request