C390-0450 Screening compound: ethyl 4-[3-methyl-4-(2-nitrophenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate

C390-0450 Screening compound: ethyl 4-[3-methyl-4-(2-nitrophenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate
C390-0450 Screening compound: ethyl 4-[3-methyl-4-(2-nitrophenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0450
ethyl 4-[3-methyl-4-(2-nitrophenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate

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

C390-0450

Molecular Formula

C21H18N4O5 (C21 H18 N4 O5)

Compound Name

ethyl 4-[3-methyl-4-(2-nitrophenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate

IUPAC name

ethyl 4-[3-methyl-4-(2-nitrophenyl)-6-oxo-1H4H5H6H-pyrrolo[34-c]pyrazol-5-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(c1c2[nH]nc1C)c(cccc1)c1[N+]([O-])=O)C2=O)=O

InChI

InChI=1S/C21H18N4O5/c1-3-30-21(27)13-8-10-14(11-9-13)24-19(15-6-4-5-7-16(15)25(28)29)17-12(2)22-23-18(17)20(24)26/h4-11,19H,3H2,1-2H3,(H,22,23)/t19-/m1/s1

InChI Key

OVZXVXTUIFIMOC-LJQANCHMSA-N

MDL Number (MFCD)

MFCD09661468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.634

Distribution Coefficient, logD

3.634

Water Solubility, LogSw

-3.86

Polar Surface Area

93.439

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

C390-0450 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 C390-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0450?
Check Price and Availability of C390-0450, 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 C390-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0450
  • 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 C390-0450 available by request