2491-1103 Screening compound: 3-ACETYL-5-(4-BROMOPHENYL)-1-(2-METHYLPHENYL)-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-4,6-DIONE

2491-1103 Screening compound: 3-ACETYL-5-(4-BROMOPHENYL)-1-(2-METHYLPHENYL)-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-4,6-DIONE
2491-1103 Screening compound: 3-ACETYL-5-(4-BROMOPHENYL)-1-(2-METHYLPHENYL)-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-4,6-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2491-1103
3-ACETYL-5-(4-BROMOPHENYL)-1-(2-METHYLPHENYL)-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

2491-1103

Molecular Formula

C20H16BrN3O3 (C20 H16 BrN3 O3)

Compound Name

3-ACETYL-5-(4-BROMOPHENYL)-1-(2-METHYLPHENYL)-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-4,6-DIONE

IUPAC name

n/a

SMILES

CC(C(C(C1C(N2c(cc3)ccc3Br)=O)C2=O)=NN1c1c(C)cccc1)=O

InChI

InChI=1S/C20H16BrN3O3/c1-11-5-3-4-6-15(11)24-18-16(17(22-24)12(2)25)19(26)23(20(18)27)14-9-7-13(21)8-10-14/h3-10,16,18H,1-2H3

InChI Key

SCWKJNHVCPSDBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01575723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.27

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

3.108

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.20

Polar Surface Area

55.245

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

2491-1103 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2491-1103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2491-1103?
Check Price and Availability of 2491-1103, 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 2491-1103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2491-1103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2491-1103
  • 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 2491-1103 available by request