5256-6040 Screening compound: ethyl 3,3,3-trifluoro-2-{[(2-fluorophenyl)carbamoyl]amino}-2-methoxypropanoate

5256-6040 Screening compound: ethyl 3,3,3-trifluoro-2-{[(2-fluorophenyl)carbamoyl]amino}-2-methoxypropanoate
5256-6040 Screening compound: ethyl 3,3,3-trifluoro-2-{[(2-fluorophenyl)carbamoyl]amino}-2-methoxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5256-6040
ethyl 3,3,3-trifluoro-2-{[(2-fluorophenyl)carbamoyl]amino}-2-methoxypropanoate

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

5256-6040

Molecular Formula

C13H14F4N2O4 (C13 H14 F4 N2 O4)

Compound Name

ethyl 3,3,3-trifluoro-2-{[(2-fluorophenyl)carbamoyl]amino}-2-methoxypropanoate

IUPAC name

ethyl 333-trifluoro-2-{[(2-fluorophenyl)carbamoyl]amino}-2-methoxypropanoate

SMILES

CCOC(C(C(F)(F)F)(NC(Nc(cccc1)c1F)=O)OC)=O

InChI

InChI=1S/C13H14F4N2O4/c1-3-23-10(20)12(22-2,13(15,16)17)19-11(21)18-9-7-5-4-6-8(9)14/h4-7H,3H2,1-2H3,(H2,18,19,21)/t12-/m1/s1

InChI Key

XFGOCUYZZWYXTR-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD00398897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.936

Distribution Coefficient, logD

2.929

Water Solubility, LogSw

-3.20

Polar Surface Area

61.364

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

5256-6040 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5256-6040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5256-6040?
Check Price and Availability of 5256-6040, 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 5256-6040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5256-6040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5256-6040
  • 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 5256-6040 available by request