C390-0387 Screening compound: ethyl 4-[4-(3-fluorophenyl)-3-(4-methoxyphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate

C390-0387 Screening compound: ethyl 4-[4-(3-fluorophenyl)-3-(4-methoxyphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate
C390-0387 Screening compound: ethyl 4-[4-(3-fluorophenyl)-3-(4-methoxyphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0387
ethyl 4-[4-(3-fluorophenyl)-3-(4-methoxyphenyl)-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

C390-0387

Molecular Formula

C27H22FN3O4 (C27 H22 FN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1N(C(c1c2[nH]nc1-c(cc1)ccc1OC)c1cccc(F)c1)C2=O)=O

InChI

InChI=1S/C27H22FN3O4/c1-3-35-27(33)17-7-11-20(12-8-17)31-25(18-5-4-6-19(28)15-18)22-23(29-30-24(22)26(31)32)16-9-13-21(34-2)14-10-16/h4-15,25H,3H2,1-2H3,(H,29,30)/t25-/m1/s1

InChI Key

ZCBHPHLIXLWPRG-RUZDIDTESA-N

MDL Number (MFCD)

MFCD05257725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.357

Distribution Coefficient, logD

5.357

Water Solubility, LogSw

-5.42

Polar Surface Area

67.825

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

C390-0387 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C390-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0387?
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What is the minimum amount of C390-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0387
  • 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 C390-0387 available by request