8019-1381 Screening compound: ethyl 2-[(3,4-dimethylphenyl)amino]-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate

8019-1381 Screening compound: ethyl 2-[(3,4-dimethylphenyl)amino]-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate
8019-1381 Screening compound: ethyl 2-[(3,4-dimethylphenyl)amino]-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1381
ethyl 2-[(3,4-dimethylphenyl)amino]-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate

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

8019-1381

Molecular Formula

C16H21F3N2O4 (C16 H21 F3 N2 O4)

Compound Name

ethyl 2-[(3,4-dimethylphenyl)amino]-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate

IUPAC name

ethyl 2-[(34-dimethylphenyl)amino]-2-[(ethoxycarbonyl)amino]-333-trifluoropropanoate

SMILES

CCOC(C(C(F)(F)F)(NC(OCC)=O)Nc1cc(C)c(C)cc1)=O

InChI

InChI=1S/C16H21F3N2O4/c1-5-24-13(22)15(16(17,18)19,21-14(23)25-6-2)20-12-8-7-10(3)11(4)9-12/h7-9,20H,5-6H2,1-4H3,(H,21,23)/t15-/m0/s1

InChI Key

RTRKYXIVNCQPAL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00276065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.335

Distribution Coefficient, logD

3.699

Water Solubility, LogSw

-4.20

Polar Surface Area

62.633

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8019-1381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1381?
Check Price and Availability of 8019-1381, 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 8019-1381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1381
  • 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 8019-1381 available by request