4790-0107 Screening compound: butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate

4790-0107 Screening compound: butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate
4790-0107 Screening compound: butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4790-0107
butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate

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

4790-0107

Molecular Formula

C22H21BrO6 (C22 H21 BrO6)

Compound Name

butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate

IUPAC name

butyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate

SMILES

CCCCOC(C(C)Oc(cc1)cc(OC=C2Oc(cccc3)c3Br)c1C2=O)=O

InChI

InChI=1S/C22H21BrO6/c1-3-4-11-26-22(25)14(2)28-15-9-10-16-19(12-15)27-13-20(21(16)24)29-18-8-6-5-7-17(18)23/h5-10,12-14H,3-4,11H2,1-2H3/t14-/m0/s1

InChI Key

QGHGPIVZNPRJIH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02348210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.043

Distribution Coefficient, logD

5.043

Water Solubility, LogSw

-4.75

Polar Surface Area

55.493

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 4790-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4790-0107?
Check Price and Availability of 4790-0107, 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 4790-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4790-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4790-0107
  • 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 4790-0107 available by request