F069-0300 Screening compound: N-[(3-bromophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]acetamide

F069-0300 Screening compound: N-[(3-bromophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]acetamide
F069-0300 Screening compound: N-[(3-bromophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F069-0300
N-[(3-bromophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]acetamide

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

F069-0300

Molecular Formula

C18H13BrF3N3O2 (C18 H13 BrF3 N3 O2)

Compound Name

N-[(3-bromophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]acetamide

IUPAC name

N-[(3-bromophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-12-dihydroquinoxalin-1-yl]acetamide

SMILES

O=C(CN(c(cccc1)c1N=C1C(F)(F)F)C1=O)NCc1cccc(Br)c1

InChI

InChI=1S/C18H13BrF3N3O2/c19-12-5-3-4-11(8-12)9-23-15(26)10-25-14-7-2-1-6-13(14)24-16(17(25)27)18(20,21)22/h1-8H,9-10H2,(H,23,26)

InChI Key

DBBGRPFPYZJVPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27098383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.149

Distribution Coefficient, logD

3.149

Water Solubility, LogSw

-3.36

Polar Surface Area

47.921

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F069-0300 in Drug Discovery

Included in Screening Libraries

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F069-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F069-0300?
Check Price and Availability of F069-0300, 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 F069-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F069-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F069-0300
  • 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 F069-0300 available by request