Y300-0325 Screening compound: 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(N-methylmethanesulfonamido)benzamide

Y300-0325 Screening compound: 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(N-methylmethanesulfonamido)benzamide
Y300-0325 Screening compound: 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(N-methylmethanesulfonamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-0325
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(N-methylmethanesulfonamido)benzamide

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

Y300-0325

Molecular Formula

C17H17ClN2O5S (C17 H17 ClN2 O5 S)

Compound Name

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(N-methylmethanesulfonamido)benzamide

IUPAC name

2-chloro-N-(23-dihydro-14-benzodioxin-6-yl)-4-(N-methylmethanesulfonamido)benzamide

SMILES

CN(c(cc1)cc(Cl)c1C(Nc(cc1)cc2c1OCCO2)=O)S(C)(=O)=O

InChI

InChI=1S/C17H17ClN2O5S/c1-20(26(2,22)23)12-4-5-13(14(18)10-12)17(21)19-11-3-6-15-16(9-11)25-8-7-24-15/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)

InChI Key

NKBUIOSXYHZULO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18487337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.85

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

1.890

Distribution Coefficient, logD

1.872

Water Solubility, LogSw

-3.35

Polar Surface Area

71.738

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

Y300-0325 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y300-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-0325?
Check Price and Availability of Y300-0325, 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 Y300-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-0325
  • 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 Y300-0325 available by request