D060-0082 Screening compound: 7-[(4-chlorophenyl)methoxy]-4-methyl-8-propanoyl-2H-chromen-2-one

D060-0082 Screening compound: 7-[(4-chlorophenyl)methoxy]-4-methyl-8-propanoyl-2H-chromen-2-one
D060-0082 Screening compound: 7-[(4-chlorophenyl)methoxy]-4-methyl-8-propanoyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D060-0082
7-[(4-chlorophenyl)methoxy]-4-methyl-8-propanoyl-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

D060-0082

Molecular Formula

C20H17ClO4 (C20 H17 ClO4)

Compound Name

7-[(4-chlorophenyl)methoxy]-4-methyl-8-propanoyl-2H-chromen-2-one

IUPAC name

7-[(4-chlorophenyl)methoxy]-4-methyl-8-propanoyl-2H-chromen-2-one

SMILES

CCC(c(c(O1)c(cc2)C(C)=CC1=O)c2OCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C20H17ClO4/c1-3-16(22)19-17(24-11-13-4-6-14(21)7-5-13)9-8-15-12(2)10-18(23)25-20(15)19/h4-10H,3,11H2,1-2H3

InChI Key

ADMPAKIGUIZLGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02925583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.375

Distribution Coefficient, logD

4.375

Water Solubility, LogSw

-5.03

Polar Surface Area

40.891

Acid Dissociation Constant (pKa)

21.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D060-0082 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 D060-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D060-0082?
Check Price and Availability of D060-0082, 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 D060-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D060-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D060-0082
  • 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 D060-0082 available by request