8008-5160 Screening compound: 6-bromo-N-(2-ethylphenyl)-2-oxo-2H-chromene-3-carboxamide

8008-5160 Screening compound: 6-bromo-N-(2-ethylphenyl)-2-oxo-2H-chromene-3-carboxamide
8008-5160 Screening compound: 6-bromo-N-(2-ethylphenyl)-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5160
6-bromo-N-(2-ethylphenyl)-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

8008-5160

Molecular Formula

C18H14BrNO3 (C18 H14 BrNO3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H14BrNO3/c1-2-11-5-3-4-6-15(11)20-17(21)14-10-12-9-13(19)7-8-16(12)23-18(14)22/h3-10H,2H2,1H3,(H,20,21)

InChI Key

OMLFWFXDCNWCPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01116520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.315

Distribution Coefficient, logD

4.314

Water Solubility, LogSw

-4.38

Polar Surface Area

43.553

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8008-5160 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • 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 8008-5160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5160?
Check Price and Availability of 8008-5160, 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 8008-5160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5160
  • 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 8008-5160 available by request