5119-0272 Screening compound: ethyl 2-butanamido-3,3,3-trifluoro-2-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}amino)propanoate

5119-0272 Screening compound: ethyl 2-butanamido-3,3,3-trifluoro-2-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}amino)propanoate
5119-0272 Screening compound: ethyl 2-butanamido-3,3,3-trifluoro-2-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5119-0272
ethyl 2-butanamido-3,3,3-trifluoro-2-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}amino)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

5119-0272

Molecular Formula

C19H23F3N4O6S (C19 H23 F3 N4 O6 S)

Compound Name

ethyl 2-butanamido-3,3,3-trifluoro-2-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}amino)propanoate

IUPAC name

ethyl 2-butanamido-333-trifluoro-2-({4-[(5-methyl-12-oxazol-3-yl)sulfamoyl]phenyl}amino)propanoate

SMILES

CCCC(NC(C(F)(F)F)(C(OCC)=O)Nc(cc1)ccc1S(Nc1noc(C)c1)(=O)=O)=O

InChI

InChI=1S/C19H23F3N4O6S/c1-4-6-16(27)24-18(19(20,21)22,17(28)31-5-2)23-13-7-9-14(10-8-13)33(29,30)26-15-11-12(3)32-25-15/h7-11,23H,4-6H2,1-3H3,(H,24,27)(H,25,26)/t18-/m0/s1

InChI Key

MNOGMFLPLKYZKH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01655338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.283

Distribution Coefficient, logD

1.512

Water Solubility, LogSw

-3.64

Polar Surface Area

116.784

Acid Dissociation Constant (pKa)

5.64

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

5119-0272 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)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5119-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5119-0272?
Check Price and Availability of 5119-0272, 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 5119-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5119-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5119-0272
  • 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 5119-0272 available by request