C390-0113 Screening compound: 5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0113 Screening compound: 5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0113 Screening compound: 5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0113
5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-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

C390-0113

Molecular Formula

C27H24BrN3O4 (C27 H24 BrN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c1n[nH]c(C2=O)c1C(c(cc1)cc(OC)c1OC)N2c(cc1)ccc1Br

InChI

InChI=1S/C27H24BrN3O4/c1-4-35-20-12-5-16(6-13-20)24-23-25(30-29-24)27(32)31(19-10-8-18(28)9-11-19)26(23)17-7-14-21(33-2)22(15-17)34-3/h5-15,26H,4H2,1-3H3,(H,29,30)/t26-/m1/s1

InChI Key

VMZKVRJBVGZVQB-AREMUKBSSA-N

MDL Number (MFCD)

MFCD06196081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.553

Distribution Coefficient, logD

5.553

Water Solubility, LogSw

-5.50

Polar Surface Area

61.911

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

C390-0113 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • 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 C390-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0113?
Check Price and Availability of C390-0113, 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 C390-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0113
  • 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 C390-0113 available by request