5119-1119 Screening compound: ethyl 2-({4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}amino)-2-acetamido-3,3,3-trifluoropropanoate

5119-1119 Screening compound: ethyl 2-({4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}amino)-2-acetamido-3,3,3-trifluoropropanoate
5119-1119 Screening compound: ethyl 2-({4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}amino)-2-acetamido-3,3,3-trifluoropropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5119-1119
ethyl 2-({4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}amino)-2-acetamido-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

5119-1119

Molecular Formula

C19H22F3N5O5S (C19 H22 F3 N5 O5 S)

Compound Name

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

IUPAC name

ethyl 2-({4-[(26-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}amino)-2-acetamido-333-trifluoropropanoate

SMILES

CCOC(C(C(F)(F)F)(NC(C)=O)Nc(cc1)ccc1S(Nc1nc(C)nc(C)c1)(=O)=O)=O

InChI

InChI=1S/C19H22F3N5O5S/c1-5-32-17(29)18(19(20,21)22,25-13(4)28)26-14-6-8-15(9-7-14)33(30,31)27-16-10-11(2)23-12(3)24-16/h6-10,26H,5H2,1-4H3,(H,25,28)(H,23,24,27)/t18-/m1/s1

InChI Key

DDXCBQQMWCQTKJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01415198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.747

Distribution Coefficient, logD

0.877

Water Solubility, LogSw

-2.67

Polar Surface Area

113.658

Acid Dissociation Constant (pKa)

6.59

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

5119-1119 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5119-1119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5119-1119?
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What is the minimum amount of 5119-1119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5119-1119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5119-1119
  • 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 5119-1119 available by request