Y205-9127 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-chloro-4-fluorobenzamide

Y205-9127 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-chloro-4-fluorobenzamide
Y205-9127 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-chloro-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-9127
N~1~-(1,3-benzodioxol-5-yl)-2-chloro-4-fluorobenzamide

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

Y205-9127

Molecular Formula

C14H9ClFNO3 (C14 H9 ClFNO3)

Compound Name

N~1~-(1,3-benzodioxol-5-yl)-2-chloro-4-fluorobenzamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-chloro-4-fluorobenzamide

SMILES

O=C(c(ccc(F)c1)c1Cl)Nc(cc1)cc2c1OCO2

InChI

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

InChI Key

MRAMVYBBACIUHU-UHFFFAOYSA-N

MDL Number (MFCD)

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

3.521

Distribution Coefficient, logD

3.429

Water Solubility, LogSw

-4.11

Polar Surface Area

40.445

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

Y205-9127 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y205-9127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-9127?
Check Price and Availability of Y205-9127, 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 Y205-9127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-9127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-9127
  • 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 Y205-9127 available by request