C390-0437 Screening compound: ethyl 4-[4-(3-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate

C390-0437 Screening compound: ethyl 4-[4-(3-bromophenyl)-3-(4-ethoxyphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate
C390-0437 Screening compound: ethyl 4-[4-(3-bromophenyl)-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 C390-0437
ethyl 4-[4-(3-bromophenyl)-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

C390-0437

Molecular Formula

C28H24BrN3O4 (C28 H24 BrN3 O4)

Compound Name

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

IUPAC name

ethyl 4-[4-(3-bromophenyl)-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)c1cccc(Br)c1)C2=O)=O

InChI

InChI=1S/C28H24BrN3O4/c1-3-35-22-14-10-17(11-15-22)24-23-25(31-30-24)27(33)32(26(23)19-6-5-7-20(29)16-19)21-12-8-18(9-13-21)28(34)36-4-2/h5-16,26H,3-4H2,1-2H3,(H,30,31)/t26-/m1/s1

InChI Key

YTHMWGGEQAVZGV-AREMUKBSSA-N

MDL Number (MFCD)

MFCD09661461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.504

Distribution Coefficient, logD

6.504

Water Solubility, LogSw

-5.71

Polar Surface Area

67.404

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

C390-0437 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 C390-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0437?
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What is the minimum amount of C390-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0437
  • 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 C390-0437 available by request