8009-4695 Screening compound: ethyl 3,3,3-trifluoro-2-(phenylformamido)-2-{[3-(trifluoromethyl)quinoxalin-2-yl]amino}propanoate

8009-4695 Screening compound: ethyl 3,3,3-trifluoro-2-(phenylformamido)-2-{[3-(trifluoromethyl)quinoxalin-2-yl]amino}propanoate
8009-4695 Screening compound: ethyl 3,3,3-trifluoro-2-(phenylformamido)-2-{[3-(trifluoromethyl)quinoxalin-2-yl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4695
ethyl 3,3,3-trifluoro-2-(phenylformamido)-2-{[3-(trifluoromethyl)quinoxalin-2-yl]amino}propanoate

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

8009-4695

Molecular Formula

C21H16F6N4O3 (C21 H16 F6 N4 O3)

Compound Name

ethyl 3,3,3-trifluoro-2-(phenylformamido)-2-{[3-(trifluoromethyl)quinoxalin-2-yl]amino}propanoate

IUPAC name

ethyl 333-trifluoro-2-(phenylformamido)-2-{[3-(trifluoromethyl)quinoxalin-2-yl]amino}propanoate

SMILES

CCOC(C(C(F)(F)F)(NC(c1ccccc1)=O)Nc1nc2ccccc2nc1C(F)(F)F)=O

InChI

InChI=1S/C21H16F6N4O3/c1-2-34-18(33)19(21(25,26)27,31-17(32)12-8-4-3-5-9-12)30-16-15(20(22,23)24)28-13-10-6-7-11-14(13)29-16/h3-11H,2H2,1H3,(H,29,30)(H,31,32)/t19-/m0/s1

InChI Key

IBEWCSLUYLOCAD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01821488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.714

Distribution Coefficient, logD

3.879

Water Solubility, LogSw

-4.29

Polar Surface Area

72.624

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 8009-4695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4695?
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What is the minimum amount of 8009-4695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4695
  • 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 8009-4695 available by request