C390-0386 Screening compound: ethyl 4-[3-(4-methoxyphenyl)-4-(2-nitrophenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate

C390-0386 Screening compound: ethyl 4-[3-(4-methoxyphenyl)-4-(2-nitrophenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate
C390-0386 Screening compound: ethyl 4-[3-(4-methoxyphenyl)-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 C390-0386
ethyl 4-[3-(4-methoxyphenyl)-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

C390-0386

Molecular Formula

C27H22N4O6 (C27 H22 N4 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1N(C(c1c2[nH]nc1-c(cc1)ccc1OC)c(cccc1)c1[N+]([O-])=O)C2=O)=O

InChI

InChI=1S/C27H22N4O6/c1-3-37-27(33)17-8-12-18(13-9-17)30-25(20-6-4-5-7-21(20)31(34)35)22-23(28-29-24(22)26(30)32)16-10-14-19(36-2)15-11-16/h4-15,25H,3H2,1-2H3,(H,28,29)/t25-/m1/s1

InChI Key

NEGHXSTYHVEZIJ-RUZDIDTESA-N

MDL Number (MFCD)

MFCD09661412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.090

Distribution Coefficient, logD

5.090

Water Solubility, LogSw

-4.91

Polar Surface Area

100.905

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

C390-0386 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 C390-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0386?
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What is the minimum amount of C390-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0386
  • 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 C390-0386 available by request