F671-0180 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)methyl]benzamide

F671-0180 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)methyl]benzamide
F671-0180 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F671-0180
N-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)methyl]benzamide

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

F671-0180

Molecular Formula

C25H22BrN3O3 (C25 H22 BrN3 O3)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)methyl]benzamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-methyl-2-oxo-12-dihydroquinoxalin-1-yl)methyl]benzamide

SMILES

CC1=Nc(cccc2)c2N(Cc(cc2)ccc2C(NCc(cc(cc2)Br)c2OC)=O)C1=O

InChI

InChI=1S/C25H22BrN3O3/c1-16-25(31)29(22-6-4-3-5-21(22)28-16)15-17-7-9-18(10-8-17)24(30)27-14-19-13-20(26)11-12-23(19)32-2/h3-13H,14-15H2,1-2H3,(H,27,30)

InChI Key

GPQRVPJGSYMVNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.399

Distribution Coefficient, logD

4.399

Water Solubility, LogSw

-4.35

Polar Surface Area

54.667

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

F671-0180 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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:
  • Cancer
  • 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 F671-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F671-0180?
Check Price and Availability of F671-0180, 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 F671-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F671-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F671-0180
  • 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 F671-0180 available by request