0440-0054 Screening compound: methyl 6-bromo-2-oxo-2H-chromene-3-carboxylate

0440-0054 Screening compound: methyl 6-bromo-2-oxo-2H-chromene-3-carboxylate
0440-0054 Screening compound: methyl 6-bromo-2-oxo-2H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0440-0054
methyl 6-bromo-2-oxo-2H-chromene-3-carboxylate

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

0440-0054

Molecular Formula

C11H7BrO4 (C11 H7 BrO4)

Compound Name

methyl 6-bromo-2-oxo-2H-chromene-3-carboxylate

IUPAC name

n/a

SMILES

COC(C1=Cc(cc(cc2)Br)c2OC1=O)=O

InChI

InChI=1S/C11H7BrO4/c1-15-10(13)8-5-6-4-7(12)2-3-9(6)16-11(8)14/h2-5H,1H3

InChI Key

CSJHGVIKEOYMML-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.08

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.484

Distribution Coefficient, logD

2.484

Water Solubility, LogSw

-2.85

Polar Surface Area

42.334

Acid Dissociation Constant (pKa)

34.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 0440-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0440-0054?
Check Price and Availability of 0440-0054, 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 0440-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0440-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0440-0054
  • 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 0440-0054 available by request