3931-2113 Screening compound: 3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate

3931-2113 Screening compound: 3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate
3931-2113 Screening compound: 3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3931-2113
3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate

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

3931-2113

Molecular Formula

C25H19ClO7 (C25 H19 ClO7)

Compound Name

3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl 3,4,5-trimethoxybenzoate

IUPAC name

3-(2-chlorophenyl)-4-oxo-4H-chromen-7-yl 345-trimethoxybenzoate

SMILES

COc1cc(C(Oc(cc2)cc(OC=C3c(cccc4)c4Cl)c2C3=O)=O)cc(OC)c1OC

InChI

InChI=1S/C25H19ClO7/c1-29-21-10-14(11-22(30-2)24(21)31-3)25(28)33-15-8-9-17-20(12-15)32-13-18(23(17)27)16-6-4-5-7-19(16)26/h4-13H,1-3H3

InChI Key

BKQMZIQCWPHVFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.053

Distribution Coefficient, logD

4.053

Water Solubility, LogSw

-4.44

Polar Surface Area

64.216

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 3931-2113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3931-2113?
Check Price and Availability of 3931-2113, 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 3931-2113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3931-2113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3931-2113
  • 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 3931-2113 available by request