C390-0429 Screening compound: ethyl 4-[4-(3-ethoxy-4-hydroxyphenyl)-3-(4-ethoxyphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate

C390-0429 Screening compound: ethyl 4-[4-(3-ethoxy-4-hydroxyphenyl)-3-(4-ethoxyphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate
C390-0429 Screening compound: ethyl 4-[4-(3-ethoxy-4-hydroxyphenyl)-3-(4-ethoxyphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0429
ethyl 4-[4-(3-ethoxy-4-hydroxyphenyl)-3-(4-ethoxyphenyl)-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

C390-0429

Molecular Formula

C30H29N3O6 (C30 H29 N3 O6)

Compound Name

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

IUPAC name

ethyl 4-[4-(3-ethoxy-4-hydroxyphenyl)-3-(4-ethoxyphenyl)-6-oxo-1H4H5H6H-pyrrolo[34-c]pyrazol-5-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(c1c2[nH]nc1-c(cc1)ccc1OCC)c(cc1)cc(OCC)c1O)C2=O)=O

InChI

InChI=1S/C30H29N3O6/c1-4-37-22-14-9-18(10-15-22)26-25-27(32-31-26)29(35)33(21-12-7-19(8-13-21)30(36)39-6-3)28(25)20-11-16-23(34)24(17-20)38-5-2/h7-17,28,34H,4-6H2,1-3H3,(H,31,32)/t28-/m0/s1

InChI Key

UUBKIFNNWCKQEV-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD09661453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.422

Distribution Coefficient, logD

5.417

Water Solubility, LogSw

-5.26

Polar Surface Area

91.163

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

C390-0429 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 C390-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0429?
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What is the minimum amount of C390-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0429
  • 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 C390-0429 available by request