8015-4061 Screening compound: N-(2,5-difluorophenyl)-3-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}propanamide

8015-4061 Screening compound: N-(2,5-difluorophenyl)-3-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}propanamide
8015-4061 Screening compound: N-(2,5-difluorophenyl)-3-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4061
N-(2,5-difluorophenyl)-3-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}propanamide

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

8015-4061

Molecular Formula

C16H11F2N3O3 (C16 H11 F2 N3 O3)

Compound Name

N-(2,5-difluorophenyl)-3-{1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]pyridin-2-yl}propanamide

IUPAC name

N-(25-difluorophenyl)-3-{13-dioxo-1H2H3H-pyrrolo[34-c]pyridin-2-yl}propanamide

SMILES

O=C(CCN(C(c1c2cncc1)=O)C2=O)Nc(cc(cc1)F)c1F

InChI

InChI=1S/C16H11F2N3O3/c17-9-1-2-12(18)13(7-9)20-14(22)4-6-21-15(23)10-3-5-19-8-11(10)16(21)24/h1-3,5,7-8H,4,6H2,(H,20,22)

InChI Key

RKWPKPRODQCPPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.179

Distribution Coefficient, logD

1.139

Water Solubility, LogSw

-1.80

Polar Surface Area

61.439

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8015-4061 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-4061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4061?
Check Price and Availability of 8015-4061, 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 8015-4061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4061
  • 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 8015-4061 available by request