C171-0196 Screening compound: 3-(4-fluorophenyl)-5-(2-methoxyphenyl)-1-(4-methylbenzoyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

C171-0196 Screening compound: 3-(4-fluorophenyl)-5-(2-methoxyphenyl)-1-(4-methylbenzoyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione
C171-0196 Screening compound: 3-(4-fluorophenyl)-5-(2-methoxyphenyl)-1-(4-methylbenzoyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C171-0196
3-(4-fluorophenyl)-5-(2-methoxyphenyl)-1-(4-methylbenzoyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

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

C171-0196

Molecular Formula

C26H22FN3O4 (C26 H22 FN3 O4)

Compound Name

3-(4-fluorophenyl)-5-(2-methoxyphenyl)-1-(4-methylbenzoyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

IUPAC name

n/a

SMILES

Cc(cc1)ccc1C(N(C(C1C(N2c(cccc3)c3OC)=O)C2=O)NC1c(cc1)ccc1F)=O

InChI

InChI=1S/C26H22FN3O4/c1-15-7-9-17(10-8-15)24(31)30-23-21(22(28-30)16-11-13-18(27)14-12-16)25(32)29(26(23)33)19-5-3-4-6-20(19)34-2/h3-14,21-23,28H,1-2H3

InChI Key

YRNNIFRCYLSLLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.900

Distribution Coefficient, logD

2.900

Water Solubility, LogSw

-3.51

Polar Surface Area

65.510

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

19.20

C171-0196 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C171-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C171-0196?
Check Price and Availability of C171-0196, 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 C171-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C171-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C171-0196
  • 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 C171-0196 available by request