F069-0411 Screening compound: N-(3-chloro-2-methylphenyl)-2-[2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]propanamide

F069-0411 Screening compound: N-(3-chloro-2-methylphenyl)-2-[2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]propanamide
F069-0411 Screening compound: N-(3-chloro-2-methylphenyl)-2-[2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F069-0411
N-(3-chloro-2-methylphenyl)-2-[2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]propanamide

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

F069-0411

Molecular Formula

C19H15ClF3N3O2 (C19 H15 ClF3 N3 O2)

Compound Name

N-(3-chloro-2-methylphenyl)-2-[2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]propanamide

IUPAC name

N-(3-chloro-2-methylphenyl)-2-[2-oxo-3-(trifluoromethyl)-12-dihydroquinoxalin-1-yl]propanamide

SMILES

CC(C(Nc1cccc(Cl)c1C)=O)N(c(cccc1)c1N=C1C(F)(F)F)C1=O

InChI

InChI=1S/C19H15ClF3N3O2/c1-10-12(20)6-5-8-13(10)25-17(27)11(2)26-15-9-4-3-7-14(15)24-16(18(26)28)19(21,22)23/h3-9,11H,1-2H3,(H,25,27)/t11-/m0/s1

InChI Key

AJVZZEPXUWLKMM-NSHDSACASA-N

MDL Number (MFCD)

MFCD14939691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.782

Distribution Coefficient, logD

3.782

Water Solubility, LogSw

-4.04

Polar Surface Area

45.456

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

F069-0411 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F069-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F069-0411?
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What is the minimum amount of F069-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F069-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F069-0411
  • 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 F069-0411 available by request