Y040-3779 Screening compound: 4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxy-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

Y040-3779 Screening compound: 4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxy-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one
Y040-3779 Screening compound: 4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxy-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3779
4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxy-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-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

Y040-3779

Molecular Formula

C21H18ClFO4 (C21 H18 ClFO4)

Compound Name

4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxy-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

IUPAC name

4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxy-6H7H8H9H10H-cyclohexa[c]chromen-6-one

SMILES

COc1ccc(C(CCCC2)=C2C(O2)=O)c2c1OCc(ccc(F)c1)c1Cl

InChI

InChI=1S/C21H18ClFO4/c1-25-18-9-8-15-14-4-2-3-5-16(14)21(24)27-19(15)20(18)26-11-12-6-7-13(23)10-17(12)22/h6-10H,2-5,11H2,1H3

InChI Key

SVJMVNUFBMSVRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05997300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

5.412

Water Solubility, LogSw

-5.90

Polar Surface Area

35.796

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

Y040-3779 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 Y040-3779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3779?
Check Price and Availability of Y040-3779, 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 Y040-3779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3779
  • 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 Y040-3779 available by request