3720-2004 Screening compound: phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate

3720-2004 Screening compound: phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate
3720-2004 Screening compound: phenyl 6-bromo-2-oxo-2H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3720-2004
phenyl 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

3720-2004

Molecular Formula

C16H9BrO4 (C16 H9 BrO4)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1=Cc(cc(cc2)Br)c2OC1=O)Oc1ccccc1

InChI

InChI=1S/C16H9BrO4/c17-11-6-7-14-10(8-11)9-13(16(19)21-14)15(18)20-12-4-2-1-3-5-12/h1-9H

InChI Key

NLSDKYATCHNPMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01020989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.15

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.831

Distribution Coefficient, logD

3.831

Water Solubility, LogSw

-4.20

Polar Surface Area

41.538

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3720-2004 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3720-2004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3720-2004?
Check Price and Availability of 3720-2004, 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 3720-2004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3720-2004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3720-2004
  • 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 3720-2004 available by request