Y207-5492 Screening compound: 7-(2,4-dichlorophenethyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1,3]benzoxazine

Y207-5492 Screening compound: 7-(2,4-dichlorophenethyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1,3]benzoxazine
Y207-5492 Screening compound: 7-(2,4-dichlorophenethyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y207-5492
7-(2,4-dichlorophenethyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1,3]benzoxazine

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

Y207-5492

Molecular Formula

C17H15Cl2NO3 (C17 H15 Cl2 NO3)

Compound Name

7-(2,4-dichlorophenethyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1,3]benzoxazine

IUPAC name

12-[2-(24-dichlorophenyl)ethyl]-4610-trioxa-12-azatricyclo[7.4.0.0^{37}]trideca-13(7)8-triene

SMILES

Clc1cc(Cl)c(CCN(C2)COc3c2cc2OCOc2c3)cc1

InChI

InChI=1S/C17H15Cl2NO3/c18-13-2-1-11(14(19)6-13)3-4-20-8-12-5-16-17(23-10-22-16)7-15(12)21-9-20/h1-2,5-7H,3-4,8-10H2

InChI Key

RQFVOYSIPNBPDE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.771

Distribution Coefficient, logD

3.217

Water Solubility, LogSw

-4.88

Polar Surface Area

29.917

Acid Dissociation Constant (pKa)

25.40

Base Dissociation Constant (pKb)

8.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

Y207-5492 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y207-5492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y207-5492?
Check Price and Availability of Y207-5492, 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 Y207-5492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y207-5492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y207-5492
  • 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 Y207-5492 available by request