5119-0405 Screening compound: ethyl 2-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-3,3,3-trifluoro-2-propanamidopropanoate

5119-0405 Screening compound: ethyl 2-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-3,3,3-trifluoro-2-propanamidopropanoate
5119-0405 Screening compound: ethyl 2-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-3,3,3-trifluoro-2-propanamidopropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5119-0405
ethyl 2-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-3,3,3-trifluoro-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

5119-0405

Molecular Formula

C20H24F3N5O5S (C20 H24 F3 N5 O5 S)

Compound Name

ethyl 2-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-3,3,3-trifluoro-2-propanamidopropanoate

IUPAC name

ethyl 2-({4-[(46-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-333-trifluoro-2-propanamidopropanoate

SMILES

CCC(NC(C(F)(F)F)(C(OCC)=O)Nc(cc1)ccc1S(Nc1nc(C)cc(C)n1)(=O)=O)=O

InChI

InChI=1S/C20H24F3N5O5S/c1-5-16(29)27-19(20(21,22)23,17(30)33-6-2)26-14-7-9-15(10-8-14)34(31,32)28-18-24-12(3)11-13(4)25-18/h7-11,26H,5-6H2,1-4H3,(H,27,29)(H,24,25,28)/t19-/m0/s1

InChI Key

KLUIQDRJVHIQPX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00788840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.481

Distribution Coefficient, logD

1.999

Water Solubility, LogSw

-2.99

Polar Surface Area

114.307

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

5119-0405 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 5119-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5119-0405?
Check Price and Availability of 5119-0405, 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 5119-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5119-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5119-0405
  • 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 5119-0405 available by request