5256-6111 Screening compound: ethyl 2-(cyclohexylamino)-3,3,3-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate

5256-6111 Screening compound: ethyl 2-(cyclohexylamino)-3,3,3-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate
5256-6111 Screening compound: ethyl 2-(cyclohexylamino)-3,3,3-trifluoro-2-[(4-methoxyphenyl)formamido]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5256-6111
ethyl 2-(cyclohexylamino)-3,3,3-trifluoro-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

5256-6111

Molecular Formula

C19H25F3N2O4 (C19 H25 F3 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(F)(F)F)(NC1CCCCC1)NC(c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C19H25F3N2O4/c1-3-28-17(26)18(19(20,21)22,23-14-7-5-4-6-8-14)24-16(25)13-9-11-15(27-2)12-10-13/h9-12,14,23H,3-8H2,1-2H3,(H,24,25)/t18-/m1/s1

InChI Key

MJDFMQGFFHUTDK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01655576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.176

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-4.10

Polar Surface Area

62.872

Acid Dissociation Constant (pKa)

6.64

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

5256-6111 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5256-6111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5256-6111?
Check Price and Availability of 5256-6111, 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 5256-6111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5256-6111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5256-6111
  • 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 5256-6111 available by request