5119-1121 Screening compound: ethyl 2-({4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}amino)-2-acetamido-3,3,3-trifluoropropanoate

5119-1121 Screening compound: ethyl 2-({4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}amino)-2-acetamido-3,3,3-trifluoropropanoate
5119-1121 Screening compound: ethyl 2-({4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}amino)-2-acetamido-3,3,3-trifluoropropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5119-1121
ethyl 2-({4-[(3,4-dimethyl-1,2-oxazol-5-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

5119-1121

Molecular Formula

C18H21F3N4O6S (C18 H21 F3 N4 O6 S)

Compound Name

ethyl 2-({4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}amino)-2-acetamido-3,3,3-trifluoropropanoate

IUPAC name

ethyl 2-({4-[(34-dimethyl-12-oxazol-5-yl)sulfamoyl]phenyl}amino)-2-acetamido-333-trifluoropropanoate

SMILES

CCOC(C(C(F)(F)F)(NC(C)=O)Nc(cc1)ccc1S(Nc1c(C)c(C)no1)(=O)=O)=O

InChI

InChI=1S/C18H21F3N4O6S/c1-5-30-16(27)17(18(19,20)21,22-12(4)26)23-13-6-8-14(9-7-13)32(28,29)25-15-10(2)11(3)24-31-15/h6-9,23,25H,5H2,1-4H3,(H,22,26)/t17-/m1/s1

InChI Key

OTGPLNKPMVTJNZ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD00844211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.45

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

2.230

Distribution Coefficient, logD

0.221

Water Solubility, LogSw

-2.86

Polar Surface Area

117.765

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

5119-1121 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5119-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5119-1121?
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What is the minimum amount of 5119-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5119-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5119-1121
  • 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 5119-1121 available by request