F069-0563 Screening compound: methyl 2-{2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]acetamido}benzoate

F069-0563 Screening compound: methyl 2-{2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]acetamido}benzoate
F069-0563 Screening compound: methyl 2-{2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F069-0563
methyl 2-{2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]acetamido}benzoate

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

F069-0563

Molecular Formula

C21H18F3N3O4 (C21 H18 F3 N3 O4)

Compound Name

methyl 2-{2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)-1,2-dihydroquinoxalin-1-yl]acetamido}benzoate

IUPAC name

methyl 2-{2-[67-dimethyl-2-oxo-3-(trifluoromethyl)-12-dihydroquinoxalin-1-yl]acetamido}benzoate

SMILES

Cc(c(C)c1)cc(N2CC(Nc(cccc3)c3C(OC)=O)=O)c1N=C(C(F)(F)F)C2=O

InChI

InChI=1S/C21H18F3N3O4/c1-11-8-15-16(9-12(11)2)27(19(29)18(26-15)21(22,23)24)10-17(28)25-14-7-5-4-6-13(14)20(30)31-3/h4-9H,10H2,1-3H3,(H,25,28)

InChI Key

VEOYEDJSHXPRDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27098408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.480

Distribution Coefficient, logD

3.463

Water Solubility, LogSw

-3.85

Polar Surface Area

67.075

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F069-0563 in Drug Discovery

Included in Screening Libraries

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 F069-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F069-0563?
Check Price and Availability of F069-0563, 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 F069-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F069-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F069-0563
  • 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 F069-0563 available by request