5256-6102 Screening compound: ethyl 3,3,3-trifluoro-2-[(4-methoxyphenyl)amino]-2-[(4-methoxyphenyl)formamido]propanoate

5256-6102 Screening compound: ethyl 3,3,3-trifluoro-2-[(4-methoxyphenyl)amino]-2-[(4-methoxyphenyl)formamido]propanoate
5256-6102 Screening compound: ethyl 3,3,3-trifluoro-2-[(4-methoxyphenyl)amino]-2-[(4-methoxyphenyl)formamido]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5256-6102
ethyl 3,3,3-trifluoro-2-[(4-methoxyphenyl)amino]-2-[(4-methoxyphenyl)formamido]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

5256-6102

Molecular Formula

C20H21F3N2O5 (C20 H21 F3 N2 O5)

Compound Name

ethyl 3,3,3-trifluoro-2-[(4-methoxyphenyl)amino]-2-[(4-methoxyphenyl)formamido]propanoate

IUPAC name

ethyl 333-trifluoro-2-[(4-methoxyphenyl)amino]-2-[(4-methoxyphenyl)formamido]propanoate

SMILES

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

InChI

InChI=1S/C20H21F3N2O5/c1-4-30-18(27)19(20(21,22)23,24-14-7-11-16(29-3)12-8-14)25-17(26)13-5-9-15(28-2)10-6-13/h5-12,24H,4H2,1-3H3,(H,25,26)/t19-/m0/s1

InChI Key

TYZWCTGHEMFFLS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01655573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-4.17

Polar Surface Area

69.368

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

5256-6102 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 5256-6102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5256-6102?
Check Price and Availability of 5256-6102, 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 5256-6102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5256-6102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5256-6102
  • 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 5256-6102 available by request