C390-0171 Screening compound: 4-[4-(4-bromophenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid

C390-0171 Screening compound: 4-[4-(4-bromophenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid
C390-0171 Screening compound: 4-[4-(4-bromophenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0171
4-[4-(4-bromophenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid

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

C390-0171

Molecular Formula

C24H16BrN3O3 (C24 H16 BrN3 O3)

Compound Name

4-[4-(4-bromophenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid

IUPAC name

4-[4-(4-bromophenyl)-6-oxo-3-phenyl-1H4H5H6H-pyrrolo[34-c]pyrazol-5-yl]benzoic acid

SMILES

OC(c(cc1)ccc1N(C(c1c2[nH]nc1-c1ccccc1)c(cc1)ccc1Br)C2=O)=O

InChI

InChI=1S/C24H16BrN3O3/c25-17-10-6-15(7-11-17)22-19-20(14-4-2-1-3-5-14)26-27-21(19)23(29)28(22)18-12-8-16(9-13-18)24(30)31/h1-13,22H,(H,26,27)(H,30,31)/t22-/m1/s1

InChI Key

NXYADJMTIIHYSA-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD06195939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.265

Distribution Coefficient, logD

2.869

Water Solubility, LogSw

-5.44

Polar Surface Area

67.935

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.20

C390-0171 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C390-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0171?
Check Price and Availability of C390-0171, 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 C390-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0171
  • 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 C390-0171 available by request