Y042-7813 Screening compound: 6-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-propyl-2H-chromen-2-one

Y042-7813 Screening compound: 6-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-propyl-2H-chromen-2-one
Y042-7813 Screening compound: 6-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-propyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7813
6-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-propyl-2H-chromen-2-one

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

Y042-7813

Molecular Formula

C20H16Cl2O5 (C20 H16 Cl2 O5)

Compound Name

6-chloro-7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-propyl-2H-chromen-2-one

IUPAC name

6-chloro-7-[(6-chloro-2H-13-benzodioxol-5-yl)methoxy]-4-propyl-2H-chromen-2-one

SMILES

CCCC(c(c(O1)c2)cc(Cl)c2OCc(cc2OCOc2c2)c2Cl)=CC1=O

InChI

InChI=1S/C20H16Cl2O5/c1-2-3-11-5-20(23)27-16-8-17(15(22)6-13(11)16)24-9-12-4-18-19(7-14(12)21)26-10-25-18/h4-8H,2-3,9-10H2,1H3

InChI Key

VYNHGJQEJRZADK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.894

Distribution Coefficient, logD

5.894

Water Solubility, LogSw

-6.10

Polar Surface Area

45.075

Acid Dissociation Constant (pKa)

27.41

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y042-7813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7813?
Check Price and Availability of Y042-7813, 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 Y042-7813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7813
  • 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 Y042-7813 available by request