3931-2094 Screening compound: 3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl ethyl carbonate

3931-2094 Screening compound: 3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl ethyl carbonate
3931-2094 Screening compound: 3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl ethyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3931-2094
3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl ethyl 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

3931-2094

Molecular Formula

C18H13ClO5 (C18 H13 ClO5)

Compound Name

3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl ethyl carbonate

IUPAC name

3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl ethyl carbonate

SMILES

CCOC(Oc(cc1)cc(OC=C2c(cccc3)c3Cl)c1C2=O)=O

InChI

InChI=1S/C18H13ClO5/c1-2-22-18(21)24-11-7-8-13-16(9-11)23-10-14(17(13)20)12-5-3-4-6-15(12)19/h3-10H,2H2,1H3

InChI Key

KYFISQGMGUJGCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02358609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.260

Distribution Coefficient, logD

3.260

Water Solubility, LogSw

-3.77

Polar Surface Area

49.625

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3931-2094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3931-2094?
Check Price and Availability of 3931-2094, 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 3931-2094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3931-2094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3931-2094
  • 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 3931-2094 available by request