5468-6643 Screening compound: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl prop-2-en-1-yl carbonate

5468-6643 Screening compound: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl prop-2-en-1-yl carbonate
5468-6643 Screening compound: 3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl prop-2-en-1-yl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5468-6643
3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl prop-2-en-1-yl carbonate

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

5468-6643

Molecular Formula

C19H13ClO5 (C19 H13 ClO5)

Compound Name

3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl prop-2-en-1-yl carbonate

IUPAC name

3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl prop-2-en-1-yl carbonate

SMILES

C=CCOC(Oc(cc1)cc(OC=C2c(cc3)ccc3Cl)c1C2=O)=O

InChI

InChI=1S/C19H13ClO5/c1-2-9-23-19(22)25-14-7-8-15-17(10-14)24-11-16(18(15)21)12-3-5-13(20)6-4-12/h2-8,10-11H,1,9H2

InChI Key

ATNRDQCGAMOODZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02963366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.416

Distribution Coefficient, logD

3.416

Water Solubility, LogSw

-4.00

Polar Surface Area

49.920

Acid Dissociation Constant (pKa)

35.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

5468-6643 in Drug Discovery

Included in Screening Libraries

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

Proline Kinase Library (2105 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5468-6643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5468-6643?
Check Price and Availability of 5468-6643, 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 5468-6643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5468-6643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5468-6643
  • 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 5468-6643 available by request