8019-1323 Screening compound: ethyl 3,3,3-trifluoro-2-{[(2-methoxyphenyl)methyl]amino}-2-propanamidopropanoate

8019-1323 Screening compound: ethyl 3,3,3-trifluoro-2-{[(2-methoxyphenyl)methyl]amino}-2-propanamidopropanoate
8019-1323 Screening compound: ethyl 3,3,3-trifluoro-2-{[(2-methoxyphenyl)methyl]amino}-2-propanamidopropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1323
ethyl 3,3,3-trifluoro-2-{[(2-methoxyphenyl)methyl]amino}-2-propanamidopropanoate

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

8019-1323

Molecular Formula

C16H21F3N2O4 (C16 H21 F3 N2 O4)

Compound Name

ethyl 3,3,3-trifluoro-2-{[(2-methoxyphenyl)methyl]amino}-2-propanamidopropanoate

IUPAC name

ethyl 333-trifluoro-2-{[(2-methoxyphenyl)methyl]amino}-2-propanamidopropanoate

SMILES

CCC(NC(C(F)(F)F)(C(OCC)=O)NCc(cccc1)c1OC)=O

InChI

InChI=1S/C16H21F3N2O4/c1-4-13(22)21-15(16(17,18)19,14(23)25-5-2)20-10-11-8-6-7-9-12(11)24-3/h6-9,20H,4-5,10H2,1-3H3,(H,21,22)/t15-/m1/s1

InChI Key

ALNHWZWRTNKUKB-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01084375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.685

Distribution Coefficient, logD

2.642

Water Solubility, LogSw

-2.94

Polar Surface Area

63.291

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8019-1323 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8019-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1323?
Check Price and Availability of 8019-1323, 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 8019-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1323
  • 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 8019-1323 available by request