C390-0401 Screening compound: ethyl 4-[4-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate

C390-0401 Screening compound: ethyl 4-[4-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate
C390-0401 Screening compound: ethyl 4-[4-(4-hydroxyphenyl)-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 C390-0401
ethyl 4-[4-(4-hydroxyphenyl)-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

C390-0401

Molecular Formula

C27H23N3O5 (C27 H23 N3 O5)

Compound Name

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

IUPAC name

ethyl 4-[4-(4-hydroxyphenyl)-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)c(cc1)ccc1O)C2=O)=O

InChI

InChI=1S/C27H23N3O5/c1-3-35-27(33)18-4-10-19(11-5-18)30-25(17-6-12-20(31)13-7-17)22-23(28-29-24(22)26(30)32)16-8-14-21(34-2)15-9-16/h4-15,25,31H,3H2,1-2H3,(H,28,29)/t25-/m0/s1

InChI Key

OLUDBQAJAIIESN-VWLOTQADSA-N

MDL Number (MFCD)

MFCD09661426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.652

Distribution Coefficient, logD

4.646

Water Solubility, LogSw

-4.26

Polar Surface Area

85.442

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

C390-0401 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C390-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0401?
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What is the minimum amount of C390-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0401
  • 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 C390-0401 available by request