C390-0096 Screening compound: 5-(4-bromophenyl)-4-(2-chlorophenyl)-3-(4-ethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0096 Screening compound: 5-(4-bromophenyl)-4-(2-chlorophenyl)-3-(4-ethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0096 Screening compound: 5-(4-bromophenyl)-4-(2-chlorophenyl)-3-(4-ethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0096
5-(4-bromophenyl)-4-(2-chlorophenyl)-3-(4-ethoxyphenyl)-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

C390-0096

Molecular Formula

C25H19BrClN3O2 (C25 H19 BrClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c1n[nH]c(C2=O)c1C(c(cccc1)c1Cl)N2c(cc1)ccc1Br

InChI

InChI=1S/C25H19BrClN3O2/c1-2-32-18-13-7-15(8-14-18)22-21-23(29-28-22)25(31)30(17-11-9-16(26)10-12-17)24(21)19-5-3-4-6-20(19)27/h3-14,24H,2H2,1H3,(H,28,29)/t24-/m1/s1

InChI Key

CVLHDHRPCBRYFP-XMMPIXPASA-N

MDL Number (MFCD)

MFCD06195868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.8

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

6.468

Distribution Coefficient, logD

6.468

Water Solubility, LogSw

-6.19

Polar Surface Area

46.651

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

C390-0096 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 C390-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0096?
Check Price and Availability of C390-0096, 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 C390-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0096
  • 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 C390-0096 available by request