8012-0619 Screening compound: ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-{[4-(trifluoromethoxy)phenyl]amino}propanoate

8012-0619 Screening compound: ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-{[4-(trifluoromethoxy)phenyl]amino}propanoate
8012-0619 Screening compound: ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-{[4-(trifluoromethoxy)phenyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0619
ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-{[4-(trifluoromethoxy)phenyl]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

8012-0619

Molecular Formula

C15H16F6N2O5 (C15 H16 F6 N2 O5)

Compound Name

ethyl 2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-2-{[4-(trifluoromethoxy)phenyl]amino}propanoate

IUPAC name

ethyl 2-[(ethoxycarbonyl)amino]-333-trifluoro-2-{[4-(trifluoromethoxy)phenyl]amino}propanoate

SMILES

CCOC(C(C(F)(F)F)(NC(OCC)=O)Nc(cc1)ccc1OC(F)(F)F)=O

InChI

InChI=1S/C15H16F6N2O5/c1-3-26-11(24)13(14(16,17)18,23-12(25)27-4-2)22-9-5-7-10(8-6-9)28-15(19,20)21/h5-8,22H,3-4H2,1-2H3,(H,23,25)/t13-/m0/s1

InChI Key

YZCZWLVPVCVUQZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02933793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.539

Distribution Coefficient, logD

3.902

Water Solubility, LogSw

-4.25

Polar Surface Area

68.570

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

8012-0619 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8012-0619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0619?
Check Price and Availability of 8012-0619, 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 8012-0619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0619
  • 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 8012-0619 available by request