Y030-3151 Screening compound: N-(3-chloro-4-fluorophenyl)-2H-1,3-benzodioxole-5-carboxamide

Y030-3151 Screening compound: N-(3-chloro-4-fluorophenyl)-2H-1,3-benzodioxole-5-carboxamide
Y030-3151 Screening compound: N-(3-chloro-4-fluorophenyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-3151
N-(3-chloro-4-fluorophenyl)-2H-1,3-benzodioxole-5-carboxamide

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

Y030-3151

Molecular Formula

C14H9ClFNO3 (C14 H9 ClFNO3)

Compound Name

N-(3-chloro-4-fluorophenyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C14H9ClFNO3/c15-10-6-9(2-3-11(10)16)17-14(18)8-1-4-12-13(5-8)20-7-19-12/h1-6H,7H2,(H,17,18)

InChI Key

DMNSGHHYFFIIPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.673

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-4.21

Polar Surface Area

40.445

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

Y030-3151 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y030-3151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-3151?
Check Price and Availability of Y030-3151, 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 Y030-3151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-3151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-3151
  • 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 Y030-3151 available by request