C390-0118 Screening compound: 5-(4-bromophenyl)-3-(4-ethoxyphenyl)-4-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0118 Screening compound: 5-(4-bromophenyl)-3-(4-ethoxyphenyl)-4-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0118 Screening compound: 5-(4-bromophenyl)-3-(4-ethoxyphenyl)-4-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0118
5-(4-bromophenyl)-3-(4-ethoxyphenyl)-4-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

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

C390-0118

Molecular Formula

C23H18BrN3O2S (C23 H18 BrN3 O2 S)

Compound Name

5-(4-bromophenyl)-3-(4-ethoxyphenyl)-4-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

5-(4-bromophenyl)-3-(4-ethoxyphenyl)-4-(thiophen-2-yl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCOc(cc1)ccc1-c1n[nH]c(C2=O)c1C(c1cccs1)N2c(cc1)ccc1Br

InChI

InChI=1S/C23H18BrN3O2S/c1-2-29-17-11-5-14(6-12-17)20-19-21(26-25-20)23(28)27(16-9-7-15(24)8-10-16)22(19)18-4-3-13-30-18/h3-13,22H,2H2,1H3,(H,25,26)/t22-/m0/s1

InChI Key

GWVVSXLNUPXCJQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD06195907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.515

Distribution Coefficient, logD

5.515

Water Solubility, LogSw

-5.39

Polar Surface Area

47.669

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

C390-0118 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 C390-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0118?
Check Price and Availability of C390-0118, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C390-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0118
  • 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 C390-0118 available by request