1718-0069 Screening compound: 6-bromo-N-(2-hydroxyphenyl)-2-oxo-2H-chromene-3-carboxamide

1718-0069 Screening compound: 6-bromo-N-(2-hydroxyphenyl)-2-oxo-2H-chromene-3-carboxamide
1718-0069 Screening compound: 6-bromo-N-(2-hydroxyphenyl)-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1718-0069
6-bromo-N-(2-hydroxyphenyl)-2-oxo-2H-chromene-3-carboxamide

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

1718-0069

Molecular Formula

C16H10BrNO4 (C16 H10 BrNO4)

Compound Name

6-bromo-N-(2-hydroxyphenyl)-2-oxo-2H-chromene-3-carboxamide

IUPAC name

6-bromo-N-(2-hydroxyphenyl)-2-oxo-2H-chromene-3-carboxamide

SMILES

Oc(cccc1)c1NC(C1=Cc(cc(cc2)Br)c2OC1=O)=O

InChI

InChI=1S/C16H10BrNO4/c17-10-5-6-14-9(7-10)8-11(16(21)22-14)15(20)18-12-3-1-2-4-13(12)19/h1-8,19H,(H,18,20)

InChI Key

GFLPRZCKCOIMMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01022114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

3.336

Water Solubility, LogSw

-3.48

Polar Surface Area

60.102

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1718-0069 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Human Receptors Annotated Library (5376 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 1718-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1718-0069?
Check Price and Availability of 1718-0069, 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 1718-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1718-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1718-0069
  • 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 1718-0069 available by request