C390-0084 Screening compound: 5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0084 Screening compound: 5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0084 Screening compound: 5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0084
5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-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

C390-0084

Molecular Formula

C26H22BrN3O4 (C26 H22 BrN3 O4)

Compound Name

5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-(4-methoxyphenyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCOc(cc(C(c1c(C2=O)[nH]nc1-c(cc1)ccc1OC)N2c(cc1)ccc1Br)cc1)c1O

InChI

InChI=1S/C26H22BrN3O4/c1-3-34-21-14-16(6-13-20(21)31)25-22-23(15-4-11-19(33-2)12-5-15)28-29-24(22)26(32)30(25)18-9-7-17(27)8-10-18/h4-14,25,31H,3H2,1-2H3,(H,28,29)/t25-/m1/s1

InChI Key

WLRBRPGZPSWIET-RUZDIDTESA-N

MDL Number (MFCD)

MFCD09661271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.268

Distribution Coefficient, logD

5.263

Water Solubility, LogSw

-5.02

Polar Surface Area

70.829

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

C390-0084 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 C390-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0084?
Check Price and Availability of C390-0084, 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 C390-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0084
  • 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 C390-0084 available by request